(2R,3R)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2,3-butanediol

C₁₂H₁₃F₂N₃O₂CAS 133775-25-4269.25 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₁₂H₁₃F₂N₃O₂
Molar mass: 269.25 g/mol
Exact mass: 269.0976 Da
logP: 0.82Crippen estimate
Polar surface area: 71.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

133775-25-4

SMILES

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)O

InChIKey

LSCNANBNVFQJDJ-PRHODGIISA-N

InChI

InChI=1S/C12H13F2N3O2/c1-8(18)12(19,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14/h2-4,6-8,18-19H,5H2,1H3/t8-,12-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(2R,3R)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butane-2,3-diol

Work with (2R,3R)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2,3-butanediol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-, methanesulfonate (1:1)1175536-50-182 % similar Voriconazole137234-62-968 % similar α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol182230-43-968 % similar (±)-Voriconazole188416-29-768 % similar Fluconazole86386-73-465 % similar Efinaconazole164650-44-663 % similar 6-Chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol188416-35-563 % similar 1-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2R-cis)-127000-90-262 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook