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rel-(R)-Cyano(4-fluoro-3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate

HCID 50153
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
85649-12-3
Standard SMILES
CC1(C)[C@H](C(=O)O[C@@H](C#N)c2ccc(F)c(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl
InChIKey
QQODLKZGRKWIFG-QSFXBCCZSA-N
Molecular formula
C22H18Cl2FNO3
Average molar mass
434.3 g/mol
Monoisotopic mass
433.064777

Names & identifiers

Preferred name
rel-(R)-Cyano(4-fluoro-3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
IUPAC
trans-[(R)-cyano-(4-fluoro-3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

Names & synonyms

86560-92-1RefChem:1098002rel-(R)-Cyano(4-fluoro-3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate(1R,3R,alphaR)-CyfluthrinUNII-1N86KTR9CR1N86KTR9CRCyfluthrin, (1R,3R,alphaR)-Cyfluthrin (1R,3R,alphaR)-formCyfluthrin (1R,3R,alphaR)-form [MI]85649-12-3Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (R)-cyano(4-fluoro-3-phenoxyphenyl)methyl ester, (1R,3R)-[(R)-cyano-(4-fluoro-3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Show more names
Cyfluthrin diastereoisomer IBIDD:ER0194SCHEMBL9862070DTXSID3048108QQODLKZGRKWIFG-QSFXBCCZSA-N(1R,3R,.ALPHA.R)-CYFLUTHRIN85782-82-7CYFLUTHRIN, (1R,3R,.ALPHA.R)-

Database identifiers

CAS
85649-12-3、86560-92-1

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
59.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
29
Formal charge
0
Complexity
679

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
PubChem CID
50153
DTXSID
DTXSID3048108
UNII
1N86KTR9CR
EC Number
289-243-3
Nikkaji
J331.078G