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Molecule record

2-(trifluoromethyl)pyrimidine

C5H3F3N2

148.09 g/mol

Loading structure

Molecular properties

Formula
C5H3F3N2
Molar mass
148.09 g·mol−1
Exact mass
148.0248 Da
4
PubChem CID
14007756

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

  • 116470-67-8
  • 2-Trifluoromethyl-pyrimidine
  • 946-092-4
  • AKOS006304393
  • BQDJLAWUTBCDHK-UHFFFAOYSA-P
  • BS-42676
  • CS-0196525
  • DTXCID60504973
Show all 22 synonyms
  • DTXSID60554190
  • EN300-237644
  • F15716
  • F2147-1016
  • F633514
  • MFCD10698646
  • Pyrimidine, 2-(trifluoromethyl)-
  • RefChem:84907
  • SB57368
  • SCHEMBL1491767
  • SCHEMBL157584
  • SCHEMBL790672
  • SCHEMBL9902766
  • trifluoromethylpyrimidine

Structure identifiers

Canonical SMILES
FC(F)(F)c1ncccn1
Isomeric SMILES
C1=CN=C(N=C1)C(F)(F)F
InChI
InChI=1S/C5H3F3N2/c6-5(7,8)4-9-2-1-3-10-4/h1-3H
InChIKey
BQDJLAWUTBCDHK-UHFFFAOYSA-N
PubChem CID
14007756

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)pyrimidine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-(trifluoromethyl)pyrimidine; 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