Molecular properties
- Formula
- C7H5F3
- Molar mass
- 146.11 g·mol−1
- Exact mass
- 146.0343 Da
- 4
- PubChem CID
- 7368
Molecule record
trifluoromethylbenzene
C7H5F3
146.11 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1',1',1'-TRIFLUOROTOLUENE
- 202-635-0
- 49R6421K89
- 98-08-8
- BENZOTRIFLUORIDE
- Benzene, (trifluoromethyl)-
- Benzenyl fluoride
- Benzylidyne fluoride
Show all 24 synonyms
- CHEBI:36810
- DTXCID404589
- DTXSID2024589
- MFCD00000372
- NSC-8038
- PhCF3
- Phenylfluoroform
- RefChem:118687
- Toluene trifluoride
- Toluene, alpha,alpha,alpha-trifluoro-
- UN-2338
- UN2338
- USAF MA-16
- a,a,a-Trifluorotoluene
- alpha,alpha,alpha-Trifluorotoluene
- omega-Trifluorotoluene
Structure identifiers
- Canonical SMILES
- FC(F)(F)c1ccccc1
- Isomeric SMILES
- C1=CC=C(C=C1)C(F)(F)F
- InChI
- InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
- InChIKey
- GETTZEONDQJALK-UHFFFAOYSA-N
- PubChem CID
- 7368
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 trifluoromethylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for trifluoromethylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.