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Molecule record

3-(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
2779355

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

  • 3-(Trifluoromethyl)cyclohexanone
  • 3-(Trifluoromethyl)cyclohexanone, 97%
  • 3-(trifluoromethyl) cyclohexanone
  • 585-36-4
  • 622-175-8
  • AKOS005259123
  • Cyclohexanone, 3-(trifluoromethyl)-
  • DB-008252
Show all 20 synonyms
  • DTXSID60381408
  • EN300-84003
  • F007621
  • MFCD00034662
  • PS-6827
  • RefChem:496393
  • SB13839
  • SBB087975
  • SCHEMBL1397564
  • SY192593
  • Z1201617668
  • ZB1695

Structure identifiers

Canonical SMILES
O=C1CCCC(C(F)(F)F)C1
Isomeric SMILES
C1CC(CC(=O)C1)C(F)(F)F
InChI
InChI=1S/C7H9F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h5H,1-4H2
InChIKey
YHADNJOEQWBXAR-UHFFFAOYSA-N
PubChem CID
2779355

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

Simulated EI mass spectrum

On-demand educational fragmentation for 3-(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