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Common name


bifenthrin

Formula


C23H22ClF3O2

CAS


82657-04-3

IUPAC name


(2-methyl[1,1'-biphenyl]-3-yl)methyl (1R,3R)-rel-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate

SMILES


Cc1c(cccc1c1ccccc1)COC(=O)[C@H]1[C@@H](/C=C(/C(F)(F)F)\Cl)C1(C)C.Cc1c(cccc1c1ccccc1)COC(=O)[C@@H]1[C@H](/C=C(/C(F)(F)F)\Cl)C1(C)C

INCHI


InChI=1S/2C23H22ClF3O2/c2*1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h2*4-12,18,20H,13H2,1-3H3/b2*19-12-/t2*18-,20-/m10/s1

Physicochemical Properties

Molecular weight:

422.868

Molar refractivity:

116.033

Num. bonds:

31

Num. double bonds:

8

Num. triple bonds:

0

Num. heavy atoms:

29

Num. nitrogen atom:

0

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

149.06

Lipophilicity

ALogP:

5.16

MLogP:

3.33

XLogP:

6.425

Water Solubility

CLogS:

-6.81

Geometric

PPSA-1:

406.312

PNSA-1:

382.475

RPCS:

0.041

RNCS:

0.561

THSA:

746.163

TPSA:

42.624

RHSA:

0.946

RPSA:

0.054

Electrostatic

RPCG:

0.219

RNCG:

0.157

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.226

Photostability

Num. arom. bonds:

13

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

3

Topological

topoRadius:

8

topoDiameter:

15

TopoPSA:

26.3
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.272

QEI:

0.568

Gau:

5.061