ChemArche
Sign inAccount

Molecule record

5-(trifluoromethyl)-1H-imidazole

C4H3F3N2

136.08 g/mol

Loading structure

Molecular properties

Formula
C4H3F3N2
Molar mass
136.08 g·mol−1
Exact mass
136.0248 Da
3
PubChem CID
585891

Functional groups

Alkane / alkyl carbon
Alkyl halide

Physical properties

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

Common names and synonyms

  • 1267573-04-5
  • 1H-Imidazole, 4-(trifluoromethyl)-
  • 33468-69-8
  • 4(5)-(Trifluoromethyl)imidazole
  • 4-(Trifluoromethyl)-1H-imidazole
  • 4-(trifluoromethyl)imidazole
  • 4-trifluoromethyl-imidazole
  • 5-trifluoromethylimidazole
Show all 24 synonyms
  • 687-962-0
  • AKOS007930860
  • BB 0261689
  • DTXSID30342920
  • FT-0650135
  • Imidazole, 4-trifluoromethyl-
  • MFCD08458860
  • PS-9116
  • Q27451951
  • RefChem:506292
  • SCHEMBL115178
  • SCHEMBL1554569
  • SCHEMBL1571817
  • SCHEMBL2040553
  • SCHEMBL392820
  • T2928

Structure identifiers

Canonical SMILES
FC(F)(F)c1cnc[nH]1
Isomeric SMILES
C1=C(NC=N1)C(F)(F)F
InChI
InChI=1S/C4H3F3N2/c5-4(6,7)3-1-8-2-9-3/h1-2H,(H,8,9)
InChIKey
DFLGRTIPTPCKPJ-UHFFFAOYSA-N
PubChem CID
585891

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 5-(trifluoromethyl)-1H-imidazole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 5-(trifluoromethyl)-1H-imidazole; 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
5-(trifluoromethyl)-1H-imidazole - Formula, Structure | ChemArche