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Molecule record

4-(trifluoromethyl)benzaldehyde

C8H5F3O

174.12 g/mol

Loading structure

Molecular properties

Formula
C8H5F3O
Molar mass
174.12 g·mol−1
Exact mass
174.0292 Da
5
PubChem CID
67996

Functional groups

Aldehyde
Alkane / alkyl carbon
Alkyl halide
Aromatic ring

Physical properties

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

Common names and synonyms

  • .alpha.,.alpha.,.alpha.-Trifluoro-p-tolualdehyde
  • 1-Formyl-4-trifluoromethylbenzene
  • 207-240-7
  • 4-(trifluormethyl)-benzaldehyde
  • 4-(trifluoromethyl)-benzaldehyde
  • 4-trifluormethylbenzaldehyde
  • 4-trifluromethylbenzaldehyde
  • 455-19-6
Show all 24 synonyms
  • A,A,A-TRIFLUORO-P-TOLUALDEHYDE
  • Benzaldehyde, 4-(trifluoromethyl)-
  • CHEMBL4473405
  • DTXCID4040424
  • DTXSID0060016
  • EINECS 207-240-7
  • MFCD00006952
  • Para-(trifluoromethyl)benzaldehyde
  • RefChem:517124
  • SCHEMBL61631
  • SCHEMBL99050
  • a,a,a-tri-fluoro-p-tolualdehyde
  • alpha,alpha,alpha-Trifluoro-p-tolualdehyde
  • p-CF3C6H4CHO
  • p-Trifluoromethylbenzaldehyde
  • trifluoro-p-tolualdehyde

Structure identifiers

Canonical SMILES
O=Cc1ccc(C(F)(F)F)cc1
Isomeric SMILES
C1=CC(=CC=C1C=O)C(F)(F)F
InChI
InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H
InChIKey
BEOBZEOPTQQELP-UHFFFAOYSA-N
PubChem CID
67996

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)benzaldehyde; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-(trifluoromethyl)benzaldehyde; 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