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Molecule record

1-methyl-3-(trifluoromethyl)benzene

C8H7F3

160.14 g/mol

Loading structure

Molecular properties

Formula
C8H7F3
Molar mass
160.14 g·mol−1
Exact mass
160.0500 Da
4
PubChem CID
136246

Functional groups

Alkane / alkyl carbon
Alkyl halide
Aromatic ring

Physical properties

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

Common names and synonyms

  • 3-Methylbenzotrifluoride
  • 3-Methylbenzotrifluoride, 98%
  • 3-Trifluoromethyltoluene
  • 3-methyl benzotrifluoride
  • 3-methyl-1-(trifluoromethyl)benzene
  • 401-79-6
  • 626-022-6
  • AKOS006222503
Show all 24 synonyms
  • Benzene, 1-methyl-3-(trifluoromethyl)-
  • CS-W010879
  • MFCD00190105
  • RefChem:504148
  • SCHEMBL1067884
  • SCHEMBL148048
  • SCHEMBL2095828
  • SCHEMBL2095830
  • SCHEMBL457652
  • SCHEMBL596022
  • SCHEMBL95846
  • SCHEMBL97209
  • SCHEMBL9901933
  • SCHEMBL9902388
  • a,a,a-Trifluoro-m-xylene
  • m-Xylene, .alpha.,.alpha.,.alpha.-trifluoro-

Structure identifiers

Canonical SMILES
Cc1cccc(C(F)(F)F)c1
Isomeric SMILES
CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C8H7F3/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H3
InChIKey
VJYXZJGDFJJDGF-UHFFFAOYSA-N
PubChem CID
136246

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

Simulated EI mass spectrum

On-demand educational fragmentation for 1-methyl-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