Responsive image

Common name


renofluthrin

Formula


C17H16Cl2F4O3

CAS


352271-52-4

IUPAC name


[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate

SMILES


CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1c(c(c(COC)c(c1F)F)F)F

INCHI


InChI=1S/C17H16Cl2F4O3/c1-17(2)9(4-10(18)19)11(17)16(24)26-6-8-14(22)12(20)7(5-25-3)13(21)15(8)23/h4,9,11H,5-6H2,1-3H3

Physicochemical Properties

Molecular weight:

415.207

Molar refractivity:

93.717

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:

6

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

79.09

Lipophilicity

ALogP:

2.619

MLogP:

2.34

XLogP:

3.525

Water Solubility

CLogS:

-6.504

Geometric

PPSA-1:

347.133

PNSA-1:

336.648

RPCS:

0.419

RNCS:

2.668

THSA:

499.166

TPSA:

184.615

RHSA:

0.73

RPSA:

0.27

Electrostatic

RPCG:

0.123

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
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.754

QEI:

0.815

Gau:

6.595