chempirical

Flutriafol

C16H13F2N3OCAS 76674-21-0301.30 g/mol

Open in Covalent MOL file
OHNNNFF
AlcoholAryl halide

Properties

Molecular formula
C16H13F2N3O
Molar mass
301.30 g/mol
Exact mass
301.1027 Da
Melting point
130 °C
logP
2.49Crippen estimate
Polar surface area
50.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
76674-21-0
SMILES
OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F
InChIKey
JWUCHKBSVLQQCO-UHFFFAOYSA-N
InChI
InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2

Weigh it out

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

Names and synonyms

8 names
  • 1H-1,2,4-Triazole-1-ethanol, α-(2-fluorophenyl)-α-(4-fluorophenyl)-
  • α-(2-Fluorophenyl)-α-(4-fluorophenyl)-1H-1,2,4-triazole-1-ethanol
  • R 152450
  • PP 450-5
  • PP 450
  • Impact
  • Impact (fungicide)
  • Sinker

Work with Flutriafol

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

Fluconazole86386-73-454 % similar (αS,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanenitrile241479-74-349 % similar (αR,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanamide241479-75-445 % similar (αR,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanethioamide368421-58-345 % similar 1-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole, (2R-cis)-127000-90-244 % similar Fosfluconazole194798-83-944 % similar Flutrimazole119006-77-843 % similar Voriconazole137234-62-942 % similar

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

Elsewhere

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