U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C9H6F3N
Molecular Weight 185.1458
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(Trifluoromethyl)phenylacetonitrile

SMILES

FC(F)(F)C1=CC=CC=C1CC#N

InChI

InChIKey=QXDCZSJGEUSERL-UHFFFAOYSA-N
InChI=1S/C9H6F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5H2

HIDE SMILES / InChI

Approval Year

Name Type Language
2-(Trifluoromethyl)phenylacetonitrile
Systematic Name English
(?,?,?-Trifluoro-o-tolyl)acetonitrile
Preferred Name English
Acetonitrile, (?,?,?-trifluoro-o-tolyl)-
Systematic Name English
2-(Trifluoromethyl)phenylacetonitrile
Systematic Name English
2-[2-(Trifluoromethyl)phenyl]acetonitrile
Systematic Name English
2-(2-Trifluoromethylphenyl)ethanenitrile
Systematic Name English
2-(Trifluoromethyl)benzeneacetonitrile
Systematic Name English
1-[2-(Trifluoromethyl)phenyl]acetonitrile
Systematic Name English
Benzeneacetonitrile, 2-(trifluoromethyl)-
Systematic Name English
Code System Code Type Description
CAS
3038-47-9
Created by admin on Tue Apr 01 19:31:45 GMT 2025 , Edited by admin on Tue Apr 01 19:31:45 GMT 2025
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PUBCHEM
76435
Created by admin on Tue Apr 01 19:31:45 GMT 2025 , Edited by admin on Tue Apr 01 19:31:45 GMT 2025
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EPA CompTox
DTXSID50184460
Created by admin on Tue Apr 01 19:31:45 GMT 2025 , Edited by admin on Tue Apr 01 19:31:45 GMT 2025
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FDA UNII
JJT2S6XK2E
Created by admin on Tue Apr 01 19:31:45 GMT 2025 , Edited by admin on Tue Apr 01 19:31:45 GMT 2025
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ECHA (EC/EINECS)
221-239-9
Created by admin on Tue Apr 01 19:31:45 GMT 2025 , Edited by admin on Tue Apr 01 19:31:45 GMT 2025
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