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Molecule record

4-(trifluoromethyl)cyclohexan-1-one

C7H9F3O

166.14 g/mol

Loading structure

Molecular properties

Formula
C7H9F3O
Molar mass
166.14 g·mol−1
Exact mass
166.0605 Da
2
PubChem CID
2777491

Functional groups

Alkane / alkyl carbon
Alkyl halide
Ketone

Physical properties

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

Common names and synonyms

  • 1-Oxo-4-(trifluoromethyl)cyclohexane
  • 4-(Trifluoromethyl)cyclohexan-1-one 97%
  • 4-(Trifluoromethyl)cyclohexanone 97%
  • 4-(Trifluoromethyl)cyclohexanone97%
  • 4-(trifluoromethyl)cyclohexanone
  • 4-trifluoromethyl-cyclohexanone
  • 690-911-5
  • 75091-99-5
Show all 24 synonyms
  • A838323
  • AKOS005256517
  • C7H9F3O
  • Cyclohexanone, 4-(trifluoromethyl)-
  • DTXCID40331562
  • DTXSID00380536
  • FT28474
  • Fr14479
  • MFCD00102145
  • PS-6828
  • RefChem:517154
  • SB13836
  • SBB056230
  • SCHEMBL569231
  • SY006597
  • orb3030007

Structure identifiers

Canonical SMILES
O=C1CCC(C(F)(F)F)CC1
Isomeric SMILES
C1CC(=O)CCC1C(F)(F)F
InChI
InChI=1S/C7H9F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h5H,1-4H2
InChIKey
IPQDZFUZVJKAKZ-UHFFFAOYSA-N
PubChem CID
2777491

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 4-(trifluoromethyl)cyclohexan-1-one; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-(trifluoromethyl)cyclohexan-1-one; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record