CHEBI:132963 - butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate
ChEBI ID CHEBI:132963
Definition A carboxylic ester resulting from the formal condensation of the carboxy group 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid with the hydroxy group of butan-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H20F3NO4
Net Charge 0
Average Mass 383.362
Monoisotopic Mass 383.13444
InChI InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3
InChIKey VAIZTNZGPYBOGF-UHFFFAOYSA-N
SMILES C1(=CC=C(N=C1)OC2=CC=C(C=C2)OC(C(OCCCC)=O)C)C(F)(F)F
ChEBI Ontology
Outgoing butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate (CHEBI:132963) has functional parent 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid (CHEBI:83598)
butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate (CHEBI:132963) has functional parent butan-1-ol (CHEBI:28885)
butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate (CHEBI:132963) is a aromatic ether (CHEBI:35618)
butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate (CHEBI:132963) is a carboxylic ester (CHEBI:33308)
butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate (CHEBI:132963) is a organofluorine compound (CHEBI:37143)
butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate (CHEBI:132963) is a pyridines (CHEBI:26421)
Incoming (S)-fluazifop-butyl (CHEBI:132965) is a butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate (CHEBI:132963)
fluazifop-P-butyl (CHEBI:132964) is a butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate (CHEBI:132963)
IUPAC Name
butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate
Manual Xref Database
323 PPDB
View more database links
Last Modified
10 August 2016
General Comment
2016-08-10 This is the entry for material with unspecified stereochemistry. There are separate entries for the individual enantiomers [butyl (2S)-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate and fluazifop-P-butyl] and for the racemate (fluazifop-butyl).