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Molecule record

(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol

C16H14F3N5O

349.32 g/mol

Loading structure

Molecular properties

Formula
C16H14F3N5O
Molar mass
349.32 g·mol−1
Exact mass
349.1150 Da
11
PubChem CID
71616

Functional groups

Alcohol
Alkane / alkyl carbon
Aromatic ring
Aryl halide

Physical properties

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

Common names and synonyms

  • (+/-)-Voriconazole
  • (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
  • (R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
  • (alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
  • 137234-62-9
  • 188416-29-7
  • 629-701-5
  • 941-833-8
Show all 24 synonyms
  • CHEBI:10023
  • DTXCID3026485
  • DTXSID5046485
  • J02AC03
  • JFU09I87TR
  • MFCD00905717
  • NSC-759888
  • RefChem:56222
  • UK-109496
  • UK109496
  • Vfend
  • Voriconazol
  • Voriconazole
  • Voriconazole Vfend
  • Voriconazolum
  • Voriconzole

Structure identifiers

Canonical SMILES
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
Isomeric SMILES
C[C@@H](C1=NC=NC=C1F)[C@](CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
InChI
InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
InChIKey
BCEHBSKCWLPMDN-MGPLVRAMSA-N
PubChem CID
71616

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 (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol; 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