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CHEBI:83707 - 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol

ChEBI IDCHEBI:83707
ChEBI Name1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol
Stars
ASCII Name1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol
DefinitionA 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.
Last Modified12 November 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H13F2N3O
Net Charge0
Average Mass301.296
Monoisotopic Mass301.10267
SMILESOC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F
InChIInChI=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
InChIKeyJWUCHKBSVLQQCO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol (CHEBI:83707) is a monofluorobenzenes (CHEBI:83575)
1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol (CHEBI:83707) is a tertiary alcohol (CHEBI:26878)
1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol (CHEBI:83707) is a triazoles (CHEBI:35727)
Incoming Relation(s)
(R)-flutriafol (CHEBI:83708) is a 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol (CHEBI:83707)
(S)-flutriafol (CHEBI:83709) is a 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol (CHEBI:83707)
Manual XrefsDatabases
353PPDB