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Molecule record

4-(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
15074799

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

  • 136547-16-5
  • AKOS006332955
  • BKDUWMJFLCNPKP-UHFFFAOYSA-N
  • CS-0270864
  • DB-063150
  • DTXCID70518627
  • DTXSID30567853
  • EN300-1196601
Show all 24 synonyms
  • F11773
  • F223937
  • KWAIDSXBJHFFHO-UHFFFAOYSA-N
  • MFCD13186003
  • Pyrimidine, 4-(trifluoromethyl)-
  • RefChem:289542
  • SB55733
  • SCHEMBL194461
  • SCHEMBL291381
  • SCHEMBL29563920
  • SCHEMBL742533
  • SCHEMBL791842
  • SCHEMBL9902280
  • SY289850
  • TS-01937
  • pyrimidine, 4-(trifluoromethyl)- (9ci)

Structure identifiers

Canonical SMILES
FC(F)(F)c1ccncn1
Isomeric SMILES
C1=CN=CN=C1C(F)(F)F
InChI
InChI=1S/C5H3F3N2/c6-5(7,8)4-1-2-9-3-10-4/h1-3H
InChIKey
BKDUWMJFLCNPKP-UHFFFAOYSA-N
PubChem CID
15074799

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 4-(trifluoromethyl)pyrimidine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-(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
4-(trifluoromethyl)pyrimidine - Formula, Structure | ChemArche