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Molecule record

1-[3-(trifluoromethyl)phenyl]ethanone

C9H7F3O

188.15 g/mol

Loading structure

Molecular properties

Formula
C9H7F3O
Molar mass
188.15 g·mol−1
Exact mass
188.0449 Da
5
PubChem CID
67682

Functional groups

Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Ketone

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1-[3-(trifluoromethyl)phenyl]ethan-1-one
  • 1-[5-(Trifluoromethyl)phenyl]ethanone
  • 3'-(Trifluoromethyl)acetophenone
  • 3-Acetylbenzotrifluoride
  • 3-CF3-C6H4-COCH3
  • 3-TRIFLUOROMETHYL-1-ACETYLBENZENE
  • 3-Trifludromethylacetophenone
  • 349-76-8
Show all 24 synonyms
  • ABXGMGUHGLQMAW-UHFFFAOYSA-N
  • ACETOPHENONE, 3'-(TRIFLUOROMETHYL)-
  • DTXCID9038923
  • DTXSID3059844
  • EC 206-490-4
  • EINECS 206-490-4
  • EQ30608V1H
  • Ethanone, 1-[3-(trifluoromethyl)phenyl]-
  • InChI=1/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H
  • M-TRIFLUOROMETHYLPHENYL METHYL KETONE
  • MFCD00000391
  • NSC-59177
  • NSC-81888
  • RefChem:90288
  • UNII-EQ30608V1H
  • m-(trifluoromethyl)acetophenone

Structure identifiers

Canonical SMILES
CC(=O)c1cccc(C(F)(F)F)c1
Isomeric SMILES
CC(=O)C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C9H7F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-5H,1H3
InChIKey
ABXGMGUHGLQMAW-UHFFFAOYSA-N
PubChem CID
67682

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 1-[3-(trifluoromethyl)phenyl]ethanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-[3-(trifluoromethyl)phenyl]ethanone; not experimental data.

Sources

Molecule identity

Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record