Organofluorides

Organic compounds that contain one or more fluorine atoms.

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8-(Trifluoromethyl)quinoline, 98%, Thermo Scientific Chemicals

CAS: 317-57-7 Molecular Formula: C10H6F3N Molecular Weight (g/mol): 197.16 MDL Number: MFCD09744668 InChI Key: AJXUSUNIYLSPER-UHFFFAOYSA-N PubChem CID: 12647568 IUPAC Name: 8-(trifluoromethyl)quinoline SMILES: C1=CC2=C(C(=C1)C(F)(F)F)N=CC=C2

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Specifications

PubChem CID	12647568
CAS	317-57-7
Molecular Weight (g/mol)	197.16
MDL Number	MFCD09744668
SMILES	C1=CC2=C(C(=C1)C(F)(F)F)N=CC=C2
IUPAC Name	8-(trifluoromethyl)quinoline
InChI Key	AJXUSUNIYLSPER-UHFFFAOYSA-N
Molecular Formula	C10H6F3N

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1,5-Dibromo-1,1,3,3,5,5-hexafluoropentane, 97%

CAS: 371-83-5 Molecular Formula: C5H4Br2F6 Molecular Weight (g/mol): 337.89 MDL Number: MFCD00236657 InChI Key: XYMBGGTVDWPIBA-UHFFFAOYSA-N Synonym: pentane,1,5-dibromo-1,1,3,3,5,5-hexafluoro,1,5-dibromo-1,1,3,3,5,5-hexafluoropentane PubChem CID: 2736777 IUPAC Name: 1,5-dibromo-1,1,3,3,5,5-hexafluoropentane SMILES: FC(F)(Br)CC(F)(F)CC(F)(F)Br

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Specifications

PubChem CID	2736777
CAS	371-83-5
Molecular Weight (g/mol)	337.89
MDL Number	MFCD00236657
SMILES	FC(F)(Br)CC(F)(F)CC(F)(F)Br
Synonym	pentane,1,5-dibromo-1,1,3,3,5,5-hexafluoro,1,5-dibromo-1,1,3,3,5,5-hexafluoropentane
IUPAC Name	1,5-dibromo-1,1,3,3,5,5-hexafluoropentane
InChI Key	XYMBGGTVDWPIBA-UHFFFAOYSA-N
Molecular Formula	C5H4Br2F6

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Bis(2,2,2-trifluoroethyl) phosphite, tech. 90%

CAS: 92466-70-1 Molecular Formula: C4H4F6O3P+ Molecular Weight (g/mol): 245.037 MDL Number: MFCD00063314 InChI Key: IMDCVAFSSZPRRM-UHFFFAOYSA-N Synonym: bis 2,2,2-trifluoroethyl phosphonate,phosphonic acid bis 2,2,2-trifluoroethyl ester,oxo-bis 2,2,2-trifluoroethoxy phosphanium,phosphonic acid, bis 2,2,2-trifluoroethyl ester,bis trifluoroethyl phosphonate,bis 2,2,2-trifluoroethyl phosphite,bis 2,2,2-trifluoroethyl hydrogen phosphite,oxobis 2,2,2-trifluoroethoxy-??-phosphanylium,bis 2,2,2-trifluoroethyl phosphite, technical grade PubChem CID: 6386648 IUPAC Name: oxo-bis(2,2,2-trifluoroethoxy)phosphanium SMILES: C(C(F)(F)F)O[P+](=O)OCC(F)(F)F

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Specifications

PubChem CID	6386648
CAS	92466-70-1
Molecular Weight (g/mol)	245.037
MDL Number	MFCD00063314
SMILES	C(C(F)(F)F)O[P+](=O)OCC(F)(F)F
Synonym	bis 2,2,2-trifluoroethyl phosphonate,phosphonic acid bis 2,2,2-trifluoroethyl ester,oxo-bis 2,2,2-trifluoroethoxy phosphanium,phosphonic acid, bis 2,2,2-trifluoroethyl ester,bis trifluoroethyl phosphonate,bis 2,2,2-trifluoroethyl phosphite,bis 2,2,2-trifluoroethyl hydrogen phosphite,oxobis 2,2,2-trifluoroethoxy-??-phosphanylium,bis 2,2,2-trifluoroethyl phosphite, technical grade
IUPAC Name	oxo-bis(2,2,2-trifluoroethoxy)phosphanium
InChI Key	IMDCVAFSSZPRRM-UHFFFAOYSA-N
Molecular Formula	C4H4F6O3P+

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2-Cyano-5-(trifluoromethyl)pyridine, 98%

CAS: 95727-86-9 Molecular Formula: C7H3F3N2 Molecular Weight (g/mol): 172.11 MDL Number: MFCD01001119 InChI Key: WDSCJULUXJSJOX-UHFFFAOYSA-N Synonym: 5-trifluoromethyl picolinonitrile,5-trifluoromethyl pyridine-2-carbonitrile,2-cyano-5-trifluoromethyl pyridine,2-cyano-5-trifluoromethylpyridine,5-trifluoromethyl-2-pyridinecarbonitrile,5-trifluoromethyl-pyridine-2-carbonitrile,2-pyridinecarbonitrile, 5-trifluoromethyl,pubchem17518,5-trifluoromethyl ;picolinonitrile,2-cyano-5-trifluoromethyl pyridine, 5-trifluoromethyl picolinonitrile PubChem CID: 1535372 IUPAC Name: 5-(trifluoromethyl)pyridine-2-carbonitrile SMILES: FC(F)(F)C1=CN=C(C=C1)C#N

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Specifications

PubChem CID	1535372
CAS	95727-86-9
Molecular Weight (g/mol)	172.11
MDL Number	MFCD01001119
SMILES	FC(F)(F)C1=CN=C(C=C1)C#N
Synonym	5-trifluoromethyl picolinonitrile,5-trifluoromethyl pyridine-2-carbonitrile,2-cyano-5-trifluoromethyl pyridine,2-cyano-5-trifluoromethylpyridine,5-trifluoromethyl-2-pyridinecarbonitrile,5-trifluoromethyl-pyridine-2-carbonitrile,2-pyridinecarbonitrile, 5-trifluoromethyl,pubchem17518,5-trifluoromethyl ;picolinonitrile,2-cyano-5-trifluoromethyl pyridine, 5-trifluoromethyl picolinonitrile
IUPAC Name	5-(trifluoromethyl)pyridine-2-carbonitrile
InChI Key	WDSCJULUXJSJOX-UHFFFAOYSA-N
Molecular Formula	C7H3F3N2

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3,4-Bis(trifluoromethyl)pyridine, 96%, Thermo Scientific Chemicals

CAS: 20857-46-9 Molecular Formula: C7H3F6N Molecular Weight (g/mol): 215.10 MDL Number: MFCD08686956 InChI Key: SVYGFFYEEPFDOC-UHFFFAOYSA-N Synonym: 3,4-bis trifluoromethyl pyridine,acmc-20anfx,3,4-di trifluoromethyl pyridine,pyridine,3,4-bis trifluoromethyl PubChem CID: 14937917 IUPAC Name: 3,4-bis(trifluoromethyl)pyridine SMILES: FC(F)(F)C1=C(C=NC=C1)C(F)(F)F

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Specifications

PubChem CID	14937917
CAS	20857-46-9
Molecular Weight (g/mol)	215.10
MDL Number	MFCD08686956
SMILES	FC(F)(F)C1=C(C=NC=C1)C(F)(F)F
Synonym	3,4-bis trifluoromethyl pyridine,acmc-20anfx,3,4-di trifluoromethyl pyridine,pyridine,3,4-bis trifluoromethyl
IUPAC Name	3,4-bis(trifluoromethyl)pyridine
InChI Key	SVYGFFYEEPFDOC-UHFFFAOYSA-N
Molecular Formula	C7H3F6N

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2,2,3,3,4,4,4-Heptafluorobutylamine, 97%, Thermo Scientific Chemicals

CAS: 374-99-2 Molecular Formula: C4H4F7N Molecular Weight (g/mol): 199.072 MDL Number: MFCD00014817 InChI Key: WBGBQSRNXPVFDB-UHFFFAOYSA-N Synonym: 2,2,3,3,4,4,4-heptafluorobutylamine,1h,1h-heptafluorobutylamine,heptafluorobutylamine,butylamine, 2,2,3,3,4,4,4-heptafluoro,1-butanamine, 2,2,3,3,4,4,4-heptafluoro,1h,1h-perfluorobutylamine,acmc-1af94,1-butanamine,2,2,3,3,4,4,4-heptafluoro PubChem CID: 67807 IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutan-1-amine SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)N

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Specifications

PubChem CID	67807
CAS	374-99-2
Molecular Weight (g/mol)	199.072
MDL Number	MFCD00014817
SMILES	C(C(C(C(F)(F)F)(F)F)(F)F)N
Synonym	2,2,3,3,4,4,4-heptafluorobutylamine,1h,1h-heptafluorobutylamine,heptafluorobutylamine,butylamine, 2,2,3,3,4,4,4-heptafluoro,1-butanamine, 2,2,3,3,4,4,4-heptafluoro,1h,1h-perfluorobutylamine,acmc-1af94,1-butanamine,2,2,3,3,4,4,4-heptafluoro
IUPAC Name	2,2,3,3,4,4,4-heptafluorobutan-1-amine
InChI Key	WBGBQSRNXPVFDB-UHFFFAOYSA-N
Molecular Formula	C4H4F7N

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4,4,4-Trifluorocrotononitrile, 96%

CAS: 406-86-0 Molecular Formula: C4H2F3N Molecular Weight (g/mol): 121.06 MDL Number: MFCD00190645 InChI Key: LHWSEFCIRYVTLZ-UHFFFAOYSA-N Synonym: 4,4,4-trifluorocrotononitrile,4,4,4-trifluorocrotonitrile,2e-4,4,4-trifluorobut-2-enenitrile,3-trifluoromethylacrylonitrile,4,4,4-trifluorobut-2-enenitrile,4,4,4-trifluoro-2-butenenitrile,trifluorocrotononitrile,ka,a`\d`dadadtarjfppp,e-4,4,4-trifluoro-2-butenenitrile,e-4,4,4-trifluorobut-2-enenitrile PubChem CID: 5708782 IUPAC Name: (E)-4,4,4-trifluorobut-2-enenitrile SMILES: FC(F)(F)C=CC#N

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Specifications

PubChem CID	5708782
CAS	406-86-0
Molecular Weight (g/mol)	121.06
MDL Number	MFCD00190645
SMILES	FC(F)(F)C=CC#N
Synonym	4,4,4-trifluorocrotononitrile,4,4,4-trifluorocrotonitrile,2e-4,4,4-trifluorobut-2-enenitrile,3-trifluoromethylacrylonitrile,4,4,4-trifluorobut-2-enenitrile,4,4,4-trifluoro-2-butenenitrile,trifluorocrotononitrile,ka,a`\d`dadadtarjfppp,e-4,4,4-trifluoro-2-butenenitrile,e-4,4,4-trifluorobut-2-enenitrile
IUPAC Name	(E)-4,4,4-trifluorobut-2-enenitrile
InChI Key	LHWSEFCIRYVTLZ-UHFFFAOYSA-N
Molecular Formula	C4H2F3N

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1-Trifluoromethylcyclopropane-1-carboxylic acid, 97%, Thermo Scientific Chemicals

CAS: 277756-46-4 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.088 MDL Number: MFCD03093070 InChI Key: SKCBKBCACWDALV-UHFFFAOYSA-N Synonym: 1-trifluoromethyl cyclopropane-1-carboxylic acid,1-trifluoromethyl cyclopropanecarboxylic acid,1-trifluoromethylcyclopropanecarboxylic acid,1-trifluoromethyl cyclopropane-1-carboxylicacid,1-trifluoromethyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-trifluoromethyl,1-trifluoromethyl-cyclopropanecarboxylic acid,pubchem20086,acmc-20aa6t,1-trifluoromethylcyclopropanecarboxylicacid PubChem CID: 2778306 IUPAC Name: 1-(trifluoromethyl)cyclopropane-1-carboxylic acid SMILES: C1CC1(C(=O)O)C(F)(F)F

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Specifications

PubChem CID	2778306
CAS	277756-46-4
Molecular Weight (g/mol)	154.088
MDL Number	MFCD03093070
SMILES	C1CC1(C(=O)O)C(F)(F)F
Synonym	1-trifluoromethyl cyclopropane-1-carboxylic acid,1-trifluoromethyl cyclopropanecarboxylic acid,1-trifluoromethylcyclopropanecarboxylic acid,1-trifluoromethyl cyclopropane-1-carboxylicacid,1-trifluoromethyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-trifluoromethyl,1-trifluoromethyl-cyclopropanecarboxylic acid,pubchem20086,acmc-20aa6t,1-trifluoromethylcyclopropanecarboxylicacid
IUPAC Name	1-(trifluoromethyl)cyclopropane-1-carboxylic acid
InChI Key	SKCBKBCACWDALV-UHFFFAOYSA-N
Molecular Formula	C5H5F3O2

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Trans-4-(Trifluoromethyl)cyclohexanecarboxylic acid, 98%

CAS: 133261-33-3 Molecular Formula: C₈H₁₁F₃O₂ Molecular Weight (g/mol): 196.17 MDL Number: MFCD09037363 InChI Key: LMEAZIIFLVDISW-UHFFFAOYSA-N Synonym: 4-trifluoromethyl cyclohexanecarboxylic acid,trans-4-trifluoromethyl cyclohexanecarboxylic acid,cis-4-trifluoromethyl cyclohexanecarboxylic acid,4-trifluoromethyl cyclohexane-1-carboxylic acid,1r,4r-4-trifluoromethyl cyclohexanecarboxylic acid,trans-4-trifluoromethyl cyclohexane-carboxylicacid,trans-4-trifluoromethyl cyclohexane-carboxylic acid,trans-4-trifluoromethylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-trifluoromethyl,4-trifluoromethyl-cyclohexanecarboxylic acid PubChem CID: 2779182 IUPAC Name: 4-(trifluoromethyl)cyclohexane-1-carboxylic acid SMILES: C1CC(CCC1C(=O)O)C(F)(F)F

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Specifications

PubChem CID	2779182
CAS	133261-33-3
Molecular Weight (g/mol)	196.17
MDL Number	MFCD09037363
SMILES	C1CC(CCC1C(=O)O)C(F)(F)F
Synonym	4-trifluoromethyl cyclohexanecarboxylic acid,trans-4-trifluoromethyl cyclohexanecarboxylic acid,cis-4-trifluoromethyl cyclohexanecarboxylic acid,4-trifluoromethyl cyclohexane-1-carboxylic acid,1r,4r-4-trifluoromethyl cyclohexanecarboxylic acid,trans-4-trifluoromethyl cyclohexane-carboxylicacid,trans-4-trifluoromethyl cyclohexane-carboxylic acid,trans-4-trifluoromethylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-trifluoromethyl,4-trifluoromethyl-cyclohexanecarboxylic acid
IUPAC Name	4-(trifluoromethyl)cyclohexane-1-carboxylic acid
InChI Key	LMEAZIIFLVDISW-UHFFFAOYSA-N
Molecular Formula	C₈H₁₁F₃O₂

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1-Bromo-4-fluorobutane, 97%

CAS: 462-72-6 Molecular Formula: C4H8BrF Molecular Weight (g/mol): 155.01 MDL Number: MFCD00209551 InChI Key: WMCUHRDQSHQNRW-UHFFFAOYSA-N PubChem CID: 10022 IUPAC Name: 1-bromo-4-fluorobutane SMILES: C(CCBr)CF

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Specifications

PubChem CID	10022
CAS	462-72-6
Molecular Weight (g/mol)	155.01
MDL Number	MFCD00209551
SMILES	C(CCBr)CF
IUPAC Name	1-bromo-4-fluorobutane
InChI Key	WMCUHRDQSHQNRW-UHFFFAOYSA-N
Molecular Formula	C4H8BrF

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1,2-Dibromohexafluoropropane, 95%

CAS: 661-95-0 Molecular Formula: C3Br2F6 Molecular Weight (g/mol): 309.83 MDL Number: MFCD00013568 InChI Key: KTULQNFKNLFOHL-UHFFFAOYNA-N Synonym: 1,2-dibromohexafluoropropane,propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro PubChem CID: 69579 IUPAC Name: 1,2-dibromo-1,1,2,3,3,3-hexafluoropropane SMILES: FC(F)(F)C(F)(Br)C(F)(F)Br

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Specifications

PubChem CID	69579
CAS	661-95-0
Molecular Weight (g/mol)	309.83
MDL Number	MFCD00013568
SMILES	FC(F)(F)C(F)(Br)C(F)(F)Br
Synonym	1,2-dibromohexafluoropropane,propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro
IUPAC Name	1,2-dibromo-1,1,2,3,3,3-hexafluoropropane
InChI Key	KTULQNFKNLFOHL-UHFFFAOYNA-N
Molecular Formula	C3Br2F6

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6-(Trifluoromethyl)indole, 97%

CAS: 13544-43-9 Molecular Formula: C9H6F3N Molecular Weight (g/mol): 185.149 MDL Number: MFCD00272316 InChI Key: BPYBYPREOVLFED-UHFFFAOYSA-N Synonym: 6-trifluoromethyl indole,6-trifluoromethylindole,6-trifluoromethyl-1h-indole,1h-indole, 6-trifluoromethyl,pubchem1713,acmc-1bscm,intermediates-zcf02044,6-trifluoromethyl-indole,ksc910g4n PubChem CID: 2777523 IUPAC Name: 6-(trifluoromethyl)-1H-indole SMILES: C1=CC(=CC2=C1C=CN2)C(F)(F)F

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Specifications

PubChem CID	2777523
CAS	13544-43-9
Molecular Weight (g/mol)	185.149
MDL Number	MFCD00272316
SMILES	C1=CC(=CC2=C1C=CN2)C(F)(F)F
Synonym	6-trifluoromethyl indole,6-trifluoromethylindole,6-trifluoromethyl-1h-indole,1h-indole, 6-trifluoromethyl,pubchem1713,acmc-1bscm,intermediates-zcf02044,6-trifluoromethyl-indole,ksc910g4n
IUPAC Name	6-(trifluoromethyl)-1H-indole
InChI Key	BPYBYPREOVLFED-UHFFFAOYSA-N
Molecular Formula	C9H6F3N

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1H,1H,2H-Perfluoro-1-hexene, 97%

CAS: 19430-93-4 Molecular Formula: C6H3F9 Molecular Weight (g/mol): 246.076 MDL Number: MFCD00042338 InChI Key: GVEUEBXMTMZVSD-UHFFFAOYSA-N Synonym: perfluorobutyl ethylene,3,3,4,4,5,5,6,6,6-nonafluoro-1-hexene,perfluorobutylethylene,1h,1h,2h-perfluoro-1-hexene,1h,1h,2h-perfluorohexene,perfluorobutyl ethene,1-hexene, 3,3,4,4,5,5,6,6,6-nonafluoro,3,3,4,4,5,5,6,6,6-nonafluorohexene,perfluoro-n-butyl ethylene,1h,1h,2h-perfluorohex-1-ene PubChem CID: 88054 IUPAC Name: 3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene SMILES: C=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

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Specifications

PubChem CID	88054
CAS	19430-93-4
Molecular Weight (g/mol)	246.076
MDL Number	MFCD00042338
SMILES	C=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Synonym	perfluorobutyl ethylene,3,3,4,4,5,5,6,6,6-nonafluoro-1-hexene,perfluorobutylethylene,1h,1h,2h-perfluoro-1-hexene,1h,1h,2h-perfluorohexene,perfluorobutyl ethene,1-hexene, 3,3,4,4,5,5,6,6,6-nonafluoro,3,3,4,4,5,5,6,6,6-nonafluorohexene,perfluoro-n-butyl ethylene,1h,1h,2h-perfluorohex-1-ene
IUPAC Name	3,3,4,4,5,5,6,6,6-nonafluorohex-1-ene
InChI Key	GVEUEBXMTMZVSD-UHFFFAOYSA-N
Molecular Formula	C6H3F9

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2-(Trifluoromethyl)pyridine, 99%, Thermo Scientific Chemicals

CAS: 368-48-9 Molecular Formula: C6H4F3N Molecular Weight (g/mol): 147.10 MDL Number: MFCD02183562 InChI Key: ATRQECRSCHYSNP-UHFFFAOYSA-N Synonym: 2-trifluoromethyl pyridine,2-trifluoromethyl-pyridine,trifluoromethylpyridine,2-1,1,1-trifluoromethyl pyridine,pyridine, trifluoromethyl,alpha,alpha,alpha-trifluoro-2-picoline,2-cf3-pyridine,trifluoromethyl pyridine PubChem CID: 136199 IUPAC Name: 2-(trifluoromethyl)pyridine SMILES: FC(F)(F)C1=CC=CC=N1

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Specifications

PubChem CID	136199
CAS	368-48-9
Molecular Weight (g/mol)	147.10
MDL Number	MFCD02183562
SMILES	FC(F)(F)C1=CC=CC=N1
Synonym	2-trifluoromethyl pyridine,2-trifluoromethyl-pyridine,trifluoromethylpyridine,2-1,1,1-trifluoromethyl pyridine,pyridine, trifluoromethyl,alpha,alpha,alpha-trifluoro-2-picoline,2-cf3-pyridine,trifluoromethyl pyridine
IUPAC Name	2-(trifluoromethyl)pyridine
InChI Key	ATRQECRSCHYSNP-UHFFFAOYSA-N
Molecular Formula	C6H4F3N

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Perfluoro-n-octane, 98%, Thermo Scientific Chemicals

CAS: 307-34-6 Molecular Formula: C8F18 Molecular Weight (g/mol): 438.059 MDL Number: MFCD00042083 InChI Key: YVBBRRALBYAZBM-UHFFFAOYSA-N Synonym: perfluorooctane,octadecafluorooctane,n-perfluorooctane,octane, octadecafluoro,eftop ef-l 100,unii-6p60zbk0ql,n-perfluoro octane,perfluoro-n-octane,octadecafluoro-n-octane,6p60zbk0ql PubChem CID: 9387 ChEBI: CHEBI:38826 IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane SMILES: C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

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Specifications

PubChem CID	9387
CAS	307-34-6
Molecular Weight (g/mol)	438.059
ChEBI	CHEBI:38826
MDL Number	MFCD00042083
SMILES	C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Synonym	perfluorooctane,octadecafluorooctane,n-perfluorooctane,octane, octadecafluoro,eftop ef-l 100,unii-6p60zbk0ql,n-perfluoro octane,perfluoro-n-octane,octadecafluoro-n-octane,6p60zbk0ql
IUPAC Name	1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane
InChI Key	YVBBRRALBYAZBM-UHFFFAOYSA-N
Molecular Formula	C8F18

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