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Molecule record

2-(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
585838

Functional groups

Alkane / alkyl carbon
Alkyl halide

Physical properties

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

Common names and synonyms

  • 1H-IMidazole, 2-(trifluor...
  • 1H-Imidazole, 2-(trifluoromethyl)-
  • 2-(Trifluoromethyl)-1H-imidazole #
  • 2-(trifluoromethyl)imidazole
  • 66675-22-7
  • 847-401-4
  • AKOS016007317
  • AMY11797
Show all 24 synonyms
  • AS-34114
  • CS-0052202
  • DB-329505
  • DTXCID20293992
  • DTXSID00342912
  • Imidazole, 2-trifluoromethyl-
  • MFCD18415320
  • PB11678
  • RCA67522
  • RefChem:462510
  • SCHEMBL2038975
  • SCHEMBL2039693
  • SCHEMBL368591
  • SCHEMBL394747
  • SCHEMBL9902220
  • SY027307

Structure identifiers

Canonical SMILES
FC(F)(F)c1ncc[nH]1
Isomeric SMILES
C1=CN=C(N1)C(F)(F)F
InChI
InChI=1S/C4H3F3N2/c5-4(6,7)3-8-1-2-9-3/h1-2H,(H,8,9)
InChIKey
KJMXVHBTWJSSBL-UHFFFAOYSA-N
PubChem CID
585838

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

Simulated EI mass spectrum

On-demand educational fragmentation for 2-(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