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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole
ChEBI ID CHEBI:83999
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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H11Cl2F4N3O
Net Charge 0
Average Mass 372.14600
Monoisotopic Mass 371.02153
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
SMILES FC(F)C(F)(F)OCC(Cn1cncn1)c1ccc(Cl)cc1Cl
ChEBI Ontology
Outgoing 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 (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 Xref Database
626 PPDB
View more database links
Last Modified
04 December 2014