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Common name


mipafox

Formula


C6H16FN2OP

CAS


371-86-8

IUPAC name


N,N'-bis(1-methylethyl)phosphorodiamidic fluoride

SMILES


CC(C)NP(=O)(F)NC(C)C

INCHI


InChI=1S/C6H16FN2OP/c1-5(2)8-11(7,10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)

Physicochemical Properties

Molecular weight:

182.176

Molar refractivity:

43.85

Num. bonds:

10

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

11

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:

2

Complexity of system:

10.05

Lipophilicity

ALogP:

-0.915

MLogP:

1.57

XLogP:

1.007

Water Solubility

CLogS:

-1.926

Geometric

PPSA-1:

373.433

PNSA-1:

158.292

RPCS:

0.46

RNCS:

5.431

THSA:

486.634

TPSA:

45.091

RHSA:

0.915

RPSA:

0.085

Electrostatic

RPCG:

0.348

RNCG:

0.234

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.4

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

3

topoDiameter:

6

TopoPSA:

50.94
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.546

QEI:

0.367

Gau:

4.595