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CHEBI:133997 - flupyradifurone

ChEBI IDCHEBI:133997
ChEBI Nameflupyradifurone
Stars
DefinitionA tertiary amino compound that is ammonia in which the nitrogens have been replaced by (6-chloropyridin-3-yl)methyl, 2,2-difluoroethyl, and 5-oxo-2,5-dihydrofuran-3-yl groups, respectively. A nicotinic acetylcholine receptor (AChR) agonist, it is used as an insecticide to control sucking pests in a variety of crops.
Last Modified21 November 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H11ClF2N2O2
Net Charge0
Average Mass288.681
Monoisotopic Mass288.04771
SMILESO=C1C=C(N(Cc2ccc(Cl)nc2)CC(F)F)CO1
InChIInChI=1S/C12H11ClF2N2O2/c13-10-2-1-8(4-16-10)5-17(6-11(14)15)9-3-12(18)19-7-9/h1-4,11H,5-7H2
InChIKeyQOIYTRGFOFZNKF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
nicotinic acetylcholine receptor agonist  An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.
Applications:
nicotinic acetylcholine receptor agonist  An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
flupyradifurone (CHEBI:133997) has role insecticide (CHEBI:24852)
flupyradifurone (CHEBI:133997) has role nicotinic acetylcholine receptor agonist (CHEBI:47958)
flupyradifurone (CHEBI:133997) is a butenolide (CHEBI:50523)
flupyradifurone (CHEBI:133997) is a enamine (CHEBI:47989)
flupyradifurone (CHEBI:133997) is a monochloropyridine (CHEBI:39172)
flupyradifurone (CHEBI:133997) is a organofluorine insecticide (CHEBI:38804)
flupyradifurone (CHEBI:133997) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
4-{[(6-chloropyridin-3-yl)methyl](2,2-difluoroethyl)amino}furan-2(5H)-one
Synonyms  Source
4-[[(6-chloro-3-pyridinyl)methyl](2,2-difluoroethyl)amino]-2(5H)-furanoneAlan Wood's Pesticides
4-[(6-chloro-3-pyridylmethyl)(2,2-difluoroethyl)amino]furan-2(5H)-oneAlan Wood's Pesticides
FlupyradifuronChEBI
Brand Name  Source
SivantoChEBI
Manual XrefsDatabases
flupyradifuroneAlan Wood's Pesticides
US2011130288Patent
WO2011051151Patent
2620PPDB
Registry NumbersSources
Reaxys:19518067Reaxys
CAS:951659-40-8Alan Wood's Pesticides
CAS:951659-40-8ChemIDplus
Citations