Molecular properties
- Formula
- C8H4F3N
- Molar mass
- 171.12 g·mol−1
- Exact mass
- 171.0296 Da
- 6
- PubChem CID
- 67972
Molecule record
2-(trifluoromethyl)benzonitrile
C8H4F3N
171.12 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- .alpha.,.alpha.,.alpha.-Trifluoro-o-tolunitrile
- 2-(trifluoromethyl)benzenecarbonitrile
- 2-Cyanobenzotrifluoride
- 2-trifluoromethyl-benzonitrile
- 447-60-9
- Benzonitrile, (trifluoromethyl)-
- Benzonitrile, 2-(trifluoromethyl)-
- DTXCID502031
Show all 24 synonyms
- DTXSID3022031
- EINECS 207-184-3
- J196.146B
- MFCD00001791
- NSC-88312
- NSC88312
- O-(TRIFLUOROMETHYL)CYANOBENZENE
- O-TOLUNITRILE, .ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-
- RefChem:462550
- S2CA842543
- UNII-S2CA842543
- a,a,a-trifluoro-o-tolunitrile
- alpha,alpha,alpha-Trifluoro-2-toluonitrile
- alpha,alpha,alpha-Trifluoro-o-tolunitrile
- o-Tolunitrile, alpha,alpha,alpha-trifluoro-
- o-Trifluoromethylbenzonitrile
Structure identifiers
- Canonical SMILES
- N#Cc1ccccc1C(F)(F)F
- Isomeric SMILES
- C1=CC=C(C(=C1)C#N)C(F)(F)F
- InChI
- InChI=1S/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H
- InChIKey
- SOZGHDCEWOLLHV-UHFFFAOYSA-N
- PubChem CID
- 67972
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 2-(trifluoromethyl)benzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-(trifluoromethyl)benzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.