CHEBI:81920 - flufenacet

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ChEBI Name flufenacet
ChEBI ID CHEBI:81920
Definition An aromatic amide that is acetamide in which the amino hydrogens have been replaced by a propan-2-yl and 4-fluorophenyl groups while the methyl hydrogen is replaced by a [5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H13F4N3O2S
Net Charge 0
Average Mass 363.33100
Monoisotopic Mass 363.06646
InChI InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3
InChIKey IANUJLZYFUDJIH-UHFFFAOYSA-N
SMILES CC(C)N(C(=O)COc1nnc(s1)C(F)(F)F)c1ccc(F)cc1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): herbicide
A substance used to destroy plant pests.
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ChEBI Ontology
Outgoing flufenacet (CHEBI:81920) has role environmental contaminant (CHEBI:78298)
flufenacet (CHEBI:81920) has role herbicide (CHEBI:24527)
flufenacet (CHEBI:81920) has role xenobiotic (CHEBI:35703)
flufenacet (CHEBI:81920) is a aromatic amide (CHEBI:62733)
flufenacet (CHEBI:81920) is a monofluorobenzenes (CHEBI:83575)
flufenacet (CHEBI:81920) is a thiadiazoles (CHEBI:38099)
IUPAC Name
N-(4-fluorophenyl)-N-(propan-2-yl)-2-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy}acetamide
Synonyms Sources
4'-fluoro-N-isopropyl-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yloxy]acetanilide Alan Wood's Pesticides
Thiafluamide ChemIDplus
Manual Xrefs Databases
331 PPDB
C18731 KEGG COMPOUND
flufenacet Alan Wood's Pesticides
Flufenacet Wikipedia
US2011152087 Patent
US2011152089 Patent
US2011160059 Patent
View more database links
Registry Numbers Types Sources
142459-58-3 CAS Registry Number ChemIDplus
8787751 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
24007479 PubMed citation Europe PMC
Last Modified
10 November 2014