Molecular Identity
Flutriafol
1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID: 91727
1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol is a tertiary alcohol that is ethanol in which one of the hydrogens at position 1 is replaced by an p-fluorophenyl group, the other hydrogen at position 1 is replaced by a p-fluorophenyl group, and one of the hydrogens at position 2 is replaced by a 1H-1,2,4-triazol-1-yl group. It is a tertiary alcohol, a member of triazoles and a member of monofluorobenzenes.
2D Structure
Properties
C16H13F2N3O
Molecular Formula
301.29
Molecular Weight
g/mol
301.1027
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
50.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
365
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Flutriafol76674-21-0PP 450TOPGUARD1-(2-Fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanolR 15245083P8CT2Z3HDTXSID8040727alpha-(2-Fluorophenyl)-alpha-(4-fluorophenyl)-1H-1,2,4-triazole-1-ethanolPP-450(RS)-2,4'-Difluoro-alpha-(1H-1,2,4-triazol-1-ylmethyl)benzhydryl alcoholDTXCID6020727CHEBI:837071H-1,2,4-Triazole-1-ethanol, alpha-(2-fluorophenyl)-alpha-(4-fluorophenyl)-R-152450
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Flutriafol
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