Molecular properties
- Formula
- C8H5F3O2
- Molar mass
- 190.12 g·mol−1
- Exact mass
- 190.0242 Da
- 5
- PubChem CID
- 9899
Molecule record
2-(trifluoromethyl)benzoic acid
C8H5F3O2
190.12 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Carboxylic acid
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- .alpha.,.alpha.,.alpha.-Trifluoro-o-toluic acid
- 0R1CK7MZUA
- 2-(Trifluoromethyl)benzoicAcid
- 2-(trifluoroformyl)benzoic acid
- 2-TFMBA
- 2-trifluoromethyl benzoic acid
- 207-093-9
- 433-97-6
Show all 24 synonyms
- AKOS000118808
- Benzoic acid, 2-(trifluoromethyl)-
- CHEBI:60694
- DTXCID10818254
- DTXSID90870537
- HMS1409D18
- MFCD00002476
- NSC-88326
- RefChem:462548
- SCHEMBL221518
- alpha,alpha,alpha-Trifluoro-o-toluic acid
- o-(trifluoroformyl)benzoic acid
- o-Trifluoromethylbenzoic acid
- ortho-(trifluoromethyl)benzoic acid
- ortho-trifluormethylbenzoic acid
- trifluoromethylbenzoic acid
Structure identifiers
- Canonical SMILES
- O=C(O)c1ccccc1C(F)(F)F
- Isomeric SMILES
- C1=CC=C(C(=C1)C(=O)O)C(F)(F)F
- InChI
- InChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
- InChIKey
- FBRJYBGLCHWYOE-UHFFFAOYSA-N
- PubChem CID
- 9899
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)benzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-(trifluoromethyl)benzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.