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Common name


dimefluthrin

Formula


C19H22F4O3

CAS


271241-14-6

IUPAC name


[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

SMILES


CC(=CC1C(C(=O)OCc2c(c(c(COC)c(c2F)F)F)F)C1(C)C)C

INCHI


InChI=1S/C19H22F4O3/c1-9(2)6-12-13(19(12,3)4)18(24)26-8-11-16(22)14(20)10(7-25-5)15(21)17(11)23/h6,12-13H,7-8H2,1-5H3

Physicochemical Properties

Molecular weight:

374.37

Molar refractivity:

93.187

Num. bonds:

27

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

26

Num. nitrogen atom:

0

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

79.07

Lipophilicity

ALogP:

2.727

MLogP:

2.78

XLogP:

3.44

Water Solubility

CLogS:

-6.08

Geometric

PPSA-1:

477.276

PNSA-1:

219.916

RPCS:

0.21

RNCS:

2.699

THSA:

519.04

TPSA:

178.153

RHSA:

0.744

RPSA:

0.256

Electrostatic

RPCG:

0.124

RNCG:

0.176

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.259

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

7

topoDiameter:

14

TopoPSA:

35.53
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.754

QEI:

0.896

Gau:

6.821