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Common name


fenfluthrin

Formula


C15H11Cl2F5O2

CAS


75867-00-4

IUPAC name


(pentafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate

SMILES


CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1c(c(c(c(c1F)F)F)F)F

INCHI


InChI=1S/C15H11Cl2F5O2/c1-15(2)6(3-7(16)17)8(15)14(23)24-4-5-9(18)11(20)13(22)12(21)10(5)19/h3,6,8H,4H2,1-2H3/t6-,8+/m1/s1

Physicochemical Properties

Molecular weight:

389.145

Molar refractivity:

83.037

Num. bonds:

25

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

24

Num. nitrogen atom:

0

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

7

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

73.09

Lipophilicity

ALogP:

2.764

MLogP:

2.12

XLogP:

3.978

Water Solubility

CLogS:

-6.273

Geometric

PPSA-1:

242.967

PNSA-1:

402.587

RPCS:

0.535

RNCS:

1.399

THSA:

542.419

TPSA:

103.135

RHSA:

0.84

RPSA:

0.16

Electrostatic

RPCG:

0.135

RNCG:

0.157

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.2

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

26.3
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.701

QEI:

0.83

Gau:

6.382