(±)-Voriconazole
Properties
- Molecular formula
- C16H14F3N5O
- Molar mass
- 349.32 g/mol
- Exact mass
- 349.1150 Da
- logP
- 2.18Crippen estimate
- Polar surface area
- 76.7 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 5
- Stereocentres
- S, Rin SMILES atom order
Identifiers
CAS number
188416-29-7SMILES
C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1FInChIKey
BCEHBSKCWLPMDN-YOHDCIQFNA-NInChI
InChI=1/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+/s2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αR,βS)-rel-
- 4-Pyrimidineethanol, α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, (R*,S*)-
- Rel-(αR,βS)-α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol