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

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ChEBI Name 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol
ChEBI ID CHEBI:83707
ChEBI ASCII Name 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H13F2N3O
Net Charge 0
Average Mass 301.29070
Monoisotopic Mass 301.10267
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
InChIKey JWUCHKBSVLQQCO-UHFFFAOYSA-N
SMILES OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F
ChEBI Ontology
Outgoing 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 (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 Xref Database
353 PPDB
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Last Modified
12 November 2014
General Comment
2014-11-12 This is the entry for material with unspecified stereochemistry. There are separate entreis for the individual enantiomers [(R)-flutriafol and (S)-flutriafol] and for the racemate (flutriafol).