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Common name


cyfluthrin

Formula


C22H18Cl2FNO3

CAS


68359-37-5

IUPAC name


cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate

SMILES


CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(c(c1)Oc1ccccc1)F

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

Physicochemical Properties

Molecular weight:

434.288

Molar refractivity:

118.565

Num. bonds:

31

Num. double bonds:

8

Num. triple bonds:

1

Num. heavy atoms:

29

Num. nitrogen atom:

1

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

3

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

149.07

Lipophilicity

ALogP:

3.347

MLogP:

3.11

XLogP:

4.008

Water Solubility

CLogS:

-5.892

Geometric

PPSA-1:

338.856

PNSA-1:

377.392

RPCS:

0.27

RNCS:

1.699

THSA:

578.641

TPSA:

137.607

RHSA:

0.808

RPSA:

0.192

Electrostatic

RPCG:

0.13

RNCG:

0.149

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.226

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

8

topoDiameter:

15

TopoPSA:

59.32
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.217

QEI:

0.649

Gau:

5.919