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CHEBI:141469 - 2-(4-tert-butylphenyl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile

ChEBI IDCHEBI:141469
ChEBI Name2-(4-tert-butylphenyl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile
Stars
ASCII Name2-(4-tert-butylphenyl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile
DefinitionA β-ketonitrile resulting from the hydrolysis and decarboxylation of the proherbicide cyflumetofen.
Last Modified10 May 2019
SubmitterAdnan
DownloadsMolfile
FormulaC20H18F3NO
Net Charge0
Average Mass345.364
Monoisotopic Mass345.13405
SMILESCC(C)(C)c1ccc(C(C#N)C(=O)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H18F3NO/c1-19(2,3)14-10-8-13(9-11-14)16(12-24)18(25)15-6-4-5-7-17(15)20(21,22)23/h4-11,16H,1-3H3
InChIKeyFZHNJBVBSYNCGX-UHFFFAOYSA-N
Roles Classification
Biological Role:
Application:
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
ChEBI Ontology
Outgoing Relation(s)
2-(4-tert-butylphenyl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile (CHEBI:141469) has role acaricide (CHEBI:22153)
2-(4-tert-butylphenyl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile (CHEBI:141469) has role mitochondrial respiratory-chain inhibitor (CHEBI:25355)
2-(4-tert-butylphenyl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile (CHEBI:141469) is a (trifluoromethyl)benzenes (CHEBI:83565)
2-(4-tert-butylphenyl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile (CHEBI:141469) is a aromatic ketone (CHEBI:76224)
2-(4-tert-butylphenyl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile (CHEBI:141469) is a β-ketonitrile (CHEBI:51854)