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Common name


tetramethylfluthrin

Formula


C17H20F4O3

CAS


84937-88-2

IUPAC name


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

SMILES


CC1(C)C(C(=O)OCc2c(c(c(COC)c(c2F)F)F)F)C1(C)C

INCHI


InChI=1S/C17H20F4O3/c1-16(2)14(17(16,3)4)15(22)24-7-9-12(20)10(18)8(6-23-5)11(19)13(9)21/h14H,6-7H2,1-5H3

Physicochemical Properties

Molecular weight:

348.333

Molar refractivity:

82.93

Num. bonds:

25

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

24

Num. nitrogen atom:

0

Num. oxygen atoms:

3

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

4

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

73.07

Lipophilicity

ALogP:

2.215

MLogP:

2.56

XLogP:

3.261

Water Solubility

CLogS:

-6.228

Geometric

PPSA-1:

424.288

PNSA-1:

234.948

RPCS:

0.247

RNCS:

2.639

THSA:

472.467

TPSA:

186.768

RHSA:

0.717

RPSA:

0.283

Electrostatic

RPCG:

0.131

RNCG:

0.186

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.24

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

12

TopoPSA:

35.53
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.654

QEI:

0.942

Gau:

7.088