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Molecule record

1-methyl-4-(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
80230

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

  • 228-124-2
  • 4-(trifluoromethyl)toluene
  • 4-Methylbenzotrifluoride
  • 4-Methylbenzotrifluoride, 98%
  • 4-methyl-1-(trifluoromethyl)benzene
  • 6140-17-6
  • Benzene, 1-methyl-4-(trifluoromethyl)-
  • DTXCID10132826
Show all 24 synonyms
  • DTXSID10210335
  • EINECS 228-124-2
  • JH7JBW374B
  • MFCD00075476
  • RefChem:525554
  • SCHEMBL192799
  • SCHEMBL2094959
  • SCHEMBL596857
  • SCHEMBL91414
  • SCHEMBL95798
  • UNII-JH7JBW374B
  • alpha,alpha,alpha-Trifluoro-p-xylene
  • p-Xylene, .alpha.,.alpha.,.alpha.-trifluoro-
  • p-Xylene, alpha,alpha,alpha-trifluoro-
  • p-methylbenzotrifluoride
  • p-trifluoromethyltoluene

Structure identifiers

Canonical SMILES
Cc1ccc(C(F)(F)F)cc1
Isomeric SMILES
CC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C8H7F3/c1-6-2-4-7(5-3-6)8(9,10)11/h2-5H,1H3
InChIKey
LRLRAYMYEXQKID-UHFFFAOYSA-N
PubChem CID
80230

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-4-(trifluoromethyl)benzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-methyl-4-(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