chempirical

4-Pyrimidineethanol, 6-chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, hydrochloride (1:1)

C16H14Cl2F3N5OCAS 188416-20-8420.22 g/mol

Open in Covalent MOL file
NNClFHONNNFFHCl
AlcoholAryl halide

Properties

Molecular formula
C16H14Cl2F3N5O
Molar mass
420.22 g/mol
Exact mass
419.0527 Da
logP
3.25Crippen estimate
Polar surface area
76.7 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5

Identifiers

CAS number
188416-20-8
SMILES
CC(c1ncnc(Cl)c1F)C(O)(Cn1cncn1)c1ccc(F)cc1F.Cl
InChIKey
ISUMRMYBGZGUMY-UHFFFAOYSA-N
InChI
InChI=1S/C16H13ClF3N5O.ClH/c1-9(14-13(20)15(17)23-7-22-14)16(26,5-25-8-21-6-24-25)11-3-2-10(18)4-12(11)19;/h2-4,6-9,26H,5H2,1H3;1H

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Names and synonyms

1 names
  • 4-Pyrimidineethanol, 6-chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, monohydrochloride

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Similar compounds

6-Chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol188416-35-595 % similar Voriconazole137234-62-970 % similar α-(2,4-Difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol182230-43-970 % similar (±)-Voriconazole188416-29-770 % similar 2,3-Butanediol, 2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3R)-, methanesulfonate (1:1)1175536-50-152 % similar Efinaconazole164650-44-651 % similar Ravuconazole182760-06-151 % similar 1-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2R-cis)-127000-90-251 % similar

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

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