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Molecule record

1-methoxy-3-(trifluoromethyl)benzene

C8H7F3O

176.14 g/mol

Loading structure

Molecular properties

Formula
C8H7F3O
Molar mass
176.14 g·mol−1
Exact mass
176.0449 Da
4
PubChem CID
96691

Functional groups

Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Ether

Physical properties

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

Common names and synonyms

  • 207-229-7
  • 3-(Trifluoromethyl)anisole
  • 3-methoxy-1-(trifluoromethyl)benzene
  • 3-methoxybenzotrifluoride
  • 3-trifluoromethylanisol
  • 454-90-0
  • Benzene, 1-methoxy-3-(trifluoromethyl)-
  • DTXCID70118989
Show all 24 synonyms
  • DTXSID60196498
  • EINECS 207-229-7
  • InChI=1/C8H7F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H
  • MFCD00000385
  • NSC 86566
  • NSC86566
  • RefChem:496364
  • SCHEMBL13322164
  • SCHEMBL160639
  • SCHEMBL160761
  • SCHEMBL167016
  • SCHEMBL535445
  • SCHEMBL753971
  • SCHEMBL96299
  • m-(Trifluoromethyl)anisole
  • m-trifluoromethylmethoxybenzene

Structure identifiers

Canonical SMILES
COc1cccc(C(F)(F)F)c1
Isomeric SMILES
COC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C8H7F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3
InChIKey
XHONYVFDZSPELQ-UHFFFAOYSA-N
PubChem CID
96691

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-methoxy-3-(trifluoromethyl)benzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-methoxy-3-(trifluoromethyl)benzene; 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