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Common name


heptafluthrin

Formula


C18H17F7O3

CAS


1130296-65-9

IUPAC name


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

SMILES


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

INCHI


InChI=1S/C18H17F7O3/c1-17(2)10(4-5-18(23,24)25)11(17)16(26)28-7-9-14(21)12(19)8(6-27-3)13(20)15(9)22/h4-5,10-11H,6-7H2,1-3H3/b5-4-

Physicochemical Properties

Molecular weight:

414.315

Molar refractivity:

89.838

Num. bonds:

29

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

28

Num. nitrogen atom:

0

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

7

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

85.1

Lipophilicity

ALogP:

2.736

MLogP:

2.34

XLogP:

3.444

Water Solubility

CLogS:

-6.159

Geometric

PPSA-1:

408.003

PNSA-1:

342.098

RPCS:

0

RNCS:

2.427

THSA:

561.184

TPSA:

188.917

RHSA:

0.748

RPSA:

0.252

Electrostatic

RPCG:

0.165

RNCG:

0.153

Flexibility

Num. Rot. bonds:

8

Frac. of Rot. bonds:

0.276

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

8

topoDiameter:

15

TopoPSA:

35.53
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.575

QEI:

0.774

Gau:

6.378