Responsive image

Common name


fluhexafon

Formula


C12H17F3N2O3S

CAS


1097630-26-6

IUPAC name


(2RS)-{[1(4)-EZ]-4-(methoxyimino)cyclohexyl}(3,3,3-trifluoropropylsulfonyl)acetonitrile

SMILES


CON=C1CCC(CC1)C(C#N)S(=O)(=O)CCC(F)(F)F

INCHI


InChI=1S/C12H17F3N2O3S/c1-20-17-10-4-2-9(3-5-10)11(8-16)21(18,19)7-6-12(13,14)15/h9,11H,2-7H2,1H3

Physicochemical Properties

Molecular weight:

326.335

Molar refractivity:

66.945

Num. bonds:

21

Num. double bonds:

3

Num. triple bonds:

1

Num. heavy atoms:

21

Num. nitrogen atom:

2

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

3

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

21.09

Lipophilicity

ALogP:

0.391

MLogP:

1.79

XLogP:

2.117

Water Solubility

CLogS:

-3.209

Geometric

PPSA-1:

445.98

PNSA-1:

334.75

RPCS:

0

RNCS:

7.564

THSA:

635.782

TPSA:

144.949

RHSA:

0.814

RPSA:

0.186

Electrostatic

RPCG:

0.223

RNCG:

0.15

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.286

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

1

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

87.9
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.905

QEI:

0.905

Gau:

6.581