1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole (CHEBI:83999)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.

CHEBI:83999 - 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:83999
ChEBI Name	1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole
Stars
Definition	A member of the class of triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl group.
Last Modified	4 December 2014
Submitter	Steve
Downloads	Molfile

Formula	C13H11Cl2F4N3O
Net Charge	0
Average Mass	372.149
Monoisotopic Mass	371.02153
SMILES	FC(F)C(F)(F)OCC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChI	InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2
InChIKey	LQDARGUHUSPFNL-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole (CHEBI:83999) is a dichlorobenzene (CHEBI:23697)
	1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole (CHEBI:83999) is a ether (CHEBI:25698)
	1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole (CHEBI:83999) is a organofluorine compound (CHEBI:37143)
	1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole (CHEBI:83999) is a triazoles (CHEBI:35727)
Incoming Relation(s)
	(R)-tetraconazole (CHEBI:84000) is a 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole (CHEBI:83999)
	(S)-tetraconazole (CHEBI:84001) is a 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole (CHEBI:83999)

IUPAC Name
1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1H-1,2,4-triazole

Manual Xrefs	Databases
626	PPDB