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CHEBI:132504 - heptafluthrin

ChEBI IDCHEBI:132504
ChEBI Nameheptafluthrin
Stars
DefinitionA 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.
Last Modified10 July 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H17F7O3
Net Charge0
Average Mass414.317
Monoisotopic Mass414.10659
SMILESCOCc1c(F)c(F)c(COC(=O)C2C(/C=C\C(F)(F)F)C2(C)C)c(F)c1F
InChIInChI=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-
InChIKeyBKACAEJQMLLGAV-PLNGDYQASA-N
Roles Classification
Biological Role:
Application:
ChEBI Ontology
Outgoing Relation(s)
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  Source
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl 2,2-dimethyl-3-[(1Z)-3,3,3-trifluoroprop-1-en-1-yl]cyclopropanecarboxylateChEBI
2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl (1RS,3RS;1RS,3SR)-2,2-dimethyl-3-[(1Z)-3,3,3-trifluoroprop-1-enyl]cyclopropanecarboxylateAlan Wood's Pesticides
[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-[(1Z)-3,3,3-trifluoro-1-propen-1-yl]cyclopropanecarboxylateAlan Wood's Pesticides
Manual XrefsDatabases
heptafluthrinAlan Wood's Pesticides
2617PPDB
Registry NumbersSources
CAS:1130296-65-9Alan Wood's Pesticides