CHEBI:132504 - heptafluthrin

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ChEBI Name heptafluthrin ChEBI ID CHEBI:132504 Definition A carboxylic ester resulting from the formal condensation of the carboxy group of 2,2-dimethyl-3-[(1Z)-3,3,3-trifluoroprop-1-en-1-yl]cyclopropanecarboxylic acid with the hydroxy group of 2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl alcohol. It is an unspecified mixture of isomers at the cyclopropane ring; the trifluoropropenyl side-chain has Z configuration. It is an insecticide with rapid knock-down activity. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H17F7O3 Net Charge 0 Average Mass 414.315 Monoisotopic Mass 414.10659 InChI InChI=1S/C18H17F7O3/c1-17(2)10(4-5-18(23,24)25)11(17)16(26)28-7-9-14(21)12(19)8(6-27-3)13(20)15(9)22/h4-5,10-11H,6-7H2,1-3H3/b5-4- InChIKey BKACAEJQMLLGAV-PLNGDYQASA-N SMILES C=1(C(=C(C(=C(C1F)COC(C2C(C2/C=C\C(F)(F)F)(C)C)=O)F)F)COC)F Roles Classification Biological Role(s): pyrethroid ester insecticide Application(s): pyrethroid ester insecticide View more via ChEBI Ontology ChEBI Ontology Outgoing heptafluthrin (CHEBI:132504) has role pyrethroid ester insecticide (CHEBI:39116) heptafluthrin (CHEBI:132504) is a carboxylic ester (CHEBI:33308) heptafluthrin (CHEBI:132504) is a cyclopropanes (CHEBI:51454) heptafluthrin (CHEBI:132504) is a tetrafluorobenzene (CHEBI:85066) IUPAC Name [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl (1Ξ,3Ξ)-2,2-dimethyl-3-[(1Z)-3,3,3-trifluoroprop-1-en-1-yl]cyclopropane-1-carboxylate Synonyms Sources 2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-[(1Z)-3,3,3-trifluoroprop-1-enyl]cyclopropanecarboxylate Alan Wood's Pesticides 2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl 2,2-dimethyl-3-[(1Z)-3,3,3-trifluoroprop-1-en-1-yl]cyclopropanecarboxylate ChEBI [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-[(1Z)-3,3,3-trifluoro-1-propen-1-yl]cyclopropanecarboxylate Alan Wood's Pesticides Manual Xrefs Databases 2617 PPDB heptafluthrin Alan Wood's Pesticides View more database links Registry Number Type Source 1130296-65-9 CAS Registry Number Alan Wood's Pesticides Last Modified 10 July 2016