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Molecule record

Trifluoroacetic acid

C2HF3O2

114.02 g/mol

2D structure for Trifluoroacetic acid

Molecular properties

Formula
C2HF3O2
Molar mass
114.02 g·mol−1
Exact mass
113.9929 Da
1
1
5
37.30 Ų
0.9 (PubChem computed XLogP3-AA descriptor)
CAS
76-05-1
PubChem CID
6422

Interactions

Polarity
Often weakly polar or nonpolar unless other structural features dominate.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

No functional-group assignment has been curated yet.

Physical properties

PropertyValueConditionsSource
Logp0.9PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 2,2,2-trifluoroacetic acid
  • 200-929-3
  • 76-05-1
  • Acetic acid, 2,2,2-trifluoro-
  • Acetic acid, trifluoro-
  • Acid, Trifluoroacetic
  • BRN 0742035
  • CHEBI:45892
Show all 22 synonyms
  • CHEMBL506259
  • DTXSID9041578
  • E5R8Z4G708
  • Kyselina trifluoroctova
  • NSC-77366
  • Perfluoroacetic acid
  • RefChem:6326
  • TRIFLUOROACETIC ACID [II]
  • Trifluoracetic acid
  • Trifluoressigsaeure
  • Trifluoroacetic acid (TFA)
  • Trifluoroethanoic acid
  • acide trifluoroacetique
  • trifluoroacetic acid . . . %

Structure identifiers

Canonical SMILES
C(=O)(C(F)(F)F)O
Isomeric SMILES
C(=O)(C(F)(F)F)O
InChI
InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey
DTQVDTLACAAQTR-UHFFFAOYSA-N
PubChem CID
6422

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for Trifluoroacetic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for Trifluoroacetic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record