2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol (CHEBI:144539)

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ChEBI Name	2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol

ChEBI ID	CHEBI:144539

ChEBI ASCII Name	2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol

Definition	An aromatic ether that is diphenyl ether substituted by a 2-hydroxy-1-(1H-1,2,4-triazol-1-yl)propan-2-yl group at position 1, trifluoromethyl group at position 2 and a chloro group at position 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C18H15ClF3N3O2

Net Charge

Average Mass

397.780

Monoisotopic Mass

397.08049

InChI

InChI=1S/C18H15ClF3N3O2/c1-17(26,9-25-11-23-10-24-25)15-7-6-14(8-16(15)18(20,21)22)27-13-4-2-12(19)3-5-13/h2-8,10-11,26H,9H2,1H3

InChIKey

JERZEQUMJNCPRJ-UHFFFAOYSA-N

SMILES

C(C=1C(=CC(=CC1)OC=2C=CC(=CC2)Cl)C(F)(F)F)(CN3N=CN=C3)(C)O

ChEBI Ontology
Outgoing	2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol (CHEBI:144539) is a (trifluoromethyl)benzenes (CHEBI:83565) 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol (CHEBI:144539) is a aromatic ether (CHEBI:35618) 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol (CHEBI:144539) is a monochlorobenzenes (CHEBI:83403) 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol (CHEBI:144539) is a tertiary alcohol (CHEBI:26878) 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol (CHEBI:144539) is a triazoles (CHEBI:35727)

Incoming	(R)-mefentrifluconazole (CHEBI:144540) is a 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol (CHEBI:144539) (S)-mefentrifluconazole (CHEBI:144541) is a 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol (CHEBI:144539)

IUPAC Name

2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol

Last Modified

15 August 2019

General Comment
2019-08-15	This is material with unspecified stereochemistry. There are separate entries for the racemate mefentrifluconazole and its individual enantiomers (R)-mefentrifluconazole and (S)-mefentrifluconazole.