Responsive image

Common name


tefluthrin

Formula


C17H14ClF7O2

CAS


79538-32-2

IUPAC name


(2,3,5,6-tetrafluoro-4-methylphenyl)methyl (1R,3R)-rel-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate

SMILES


Cc1c(c(c(COC(=O)[C@H]2[C@@H](/C=C(/C(F)(F)F)\Cl)C2(C)C)c(c1F)F)F)F.Cc1c(c(c(COC(=O)[C@@H]2[C@H](/C=C(/C(F)(F)F)\Cl)C2(C)C)c(c1F)F)F)F

INCHI


InChI=1S/2C17H14ClF7O2/c2*1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h2*4,8,10H,5H2,1-3H3/b2*9-4-/t2*8-,10-/m10/s1

Physicochemical Properties

Molecular weight:

418.734

Molar refractivity:

88.028

Num. bonds:

28

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

27

Num. nitrogen atom:

0

Num. oxygen atoms:

2

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

8

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

82.1

Lipophilicity

ALogP:

3.787

MLogP:

2.23

XLogP:

4.209

Water Solubility

CLogS:

-6.626

Geometric

PPSA-1:

289.932

PNSA-1:

389.232

RPCS:

0

RNCS:

0.711

THSA:

500.086

TPSA:

179.078

RHSA:

0.736

RPSA:

0.264

Electrostatic

RPCG:

0.194

RNCG:

0.139

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.214

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

7

topoDiameter:

13

TopoPSA:

26.3
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.651

QEI:

0.726

Gau:

5.927