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Common name


metofluthrin

Formula


C18H20F4O3

CAS


240494-70-6

IUPAC name


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

SMILES


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

INCHI


InChI=1S/C18H20F4O3/c1-5-6-11-12(18(11,2)3)17(23)25-8-10-15(21)13(19)9(7-24-4)14(20)16(10)22/h5-6,11-12H,7-8H2,1-4H3

Physicochemical Properties

Molecular weight:

360.343

Molar refractivity:

89.136

Num. bonds:

26

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

25

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:

76.07

Lipophilicity

ALogP:

2.078

MLogP:

2.67

XLogP:

3.378

Water Solubility

CLogS:

-5.704

Geometric

PPSA-1:

478.869

PNSA-1:

249.891

RPCS:

0.425

RNCS:

2.576

THSA:

534.911

TPSA:

193.849

RHSA:

0.734

RPSA:

0.266

Electrostatic

RPCG:

0.125

RNCG:

0.178

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.269

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:

1.837

QEI:

0.935

Gau:

6.959