beta-Cyfluthrin
| PubChem CID | 56608859 |
| Molecular Formula | C22H18Cl2FNO3 |
| Structure |
|
| Synonyms |
beta-Cyfluthrin
1820573-27-0 [(R)-cyano-(4-fluoro-3-phenoxyphenyl)methyl] (1S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate A-Cyfluthrin ??-Cyfluthrin beta-Cyfluthrin 10 microg/mL in Cyclohexane SCHEMBL9753020 DTXSID8032330 HY-B1837A AKOS040757066 DA-59358 MS-27766 CS-0129022 G14611 |
Computed Descriptors
| IUPAC Name | [(R)-cyano-(4-fluoro-3-phenoxyphenyl)methyl] (1S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate |
| SMILES | CC1([C@H](C1C=C(Cl)Cl)C(=O)O[C@@H](C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C |
| Canonical SMILES | CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C |
| InChI | InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3/t15?,18-,20+/m0/s1 |
| InChIKey | QQODLKZGRKWIFG-RUTXASTPSA-N |
Computed Properties
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| Molecular Weight | 434.3 g/mol |
| XLogP3 | 6.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 433.065 |
| Monoisotopic Mass | 433.065 |
| Topological Polar Surface Area | 59.3 |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 679 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
Annotation
1 pairs of Verified P450 and beta-Cyfluthrin
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Mythimna separata | CYP9A134 | R |