CHEBI:78107 - 2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate

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ChEBI Name 2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate
ChEBI ID CHEBI:78107
ChEBI ASCII Name 2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate
Definition A cyclopropanecarboxylate ester resulting from the formal condensation of the carboxy group of 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid with the hydroxy group of 2,3,5,6-tetrafluoro-4-methylbenzyl alcohol.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H14ClF7O2
Net Charge 0
Average Mass 418.73400
Monoisotopic Mass 418.05705
InChI InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-
InChIKey ZFHGXWPMULPQSE-WTKPLQERSA-N
SMILES Cc1c(F)c(F)c(COC(=O)C2C(\C=C(/Cl)C(F)(F)F)C2(C)C)c(F)c1F
ChEBI Ontology
Outgoing 2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate (CHEBI:78107) is a cyclopropanecarboxylate ester (CHEBI:50351)
2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate (CHEBI:78107) is a organochlorine compound (CHEBI:36683)
2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate (CHEBI:78107) is a organofluorine compound (CHEBI:37143)
Incoming (Z)-(1R)-cis-tefluthrin (CHEBI:39395) is a 2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate (CHEBI:78107)
(Z)-(1S)-cis-tefluthrin (CHEBI:78106) is a 2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate (CHEBI:78107)
IUPAC Name
2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate
Manual Xref Database
C10992 KEGG COMPOUND
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Registry Number Type Source
79538-32-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014
General Comment
2014-04-04 This is the entry for material with unspecified stereochemistry. There are separate entries for the (Z)-(1R)-cis- and (Z)-(1S)-cis- diastereoisomers [(Z)-(1R)-cis-tefluthrin and (Z)-(1S)-cis-tefluthrin, respectively] and for the racemic mixture of these two isomers (tefluthrin).