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Common name


dimefox

Formula


C4H12FN2OP

CAS


115-26-4

IUPAC name


N,N,N',N'-tetramethylphosphorodiamidic fluoride

SMILES


CN(C)P(=O)(F)N(C)C

INCHI


InChI=1S/C4H12FN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3

Physicochemical Properties

Molecular weight:

154.123

Molar refractivity:

36.246

Num. bonds:

8

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

9

Num. nitrogen atom:

2

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

1

Num. halogen atoms:

1

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

8.05

Lipophilicity

ALogP:

-0.611

MLogP:

1.35

XLogP:

-0.281

Water Solubility

CLogS:

-0.383

Geometric

PPSA-1:

306.215

PNSA-1:

199.536

RPCS:

7.911

RNCS:

10.91

THSA:

426.413

TPSA:

79.339

RHSA:

0.843

RPSA:

0.157

Electrostatic

RPCG:

0.433

RNCG:

0.288

Flexibility

Num. Rot. bonds:

2

Frac. of Rot. bonds:

0.25

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

2

topoDiameter:

4

TopoPSA:

33.36
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.123

QEI:

0.479

Gau:

4.077