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Common name


fluopyram

Formula


C16H11ClF6N2O

CAS


658066-35-4

IUPAC name


N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-(trifluoromethyl)benzamide

SMILES


c1ccc(c(c1)C(=NCCc1c(cc(cn1)C(F)(F)F)Cl)O)C(F)(F)F

INCHI


InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)

Physicochemical Properties

Molecular weight:

397.054

Molar refractivity:

84.762

Num. bonds:

27

Num. double bonds:

7

Num. triple bonds:

0

Num. heavy atoms:

26

Num. nitrogen atom:

2

Num. oxygen atoms:

1

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

7

Num. H-bond acc:

2

Num. H-bond donors:

2

Complexity of system:

79.1

Lipophilicity

ALogP:

2.79

MLogP:

2.12

XLogP:

3.468

Water Solubility

CLogS:

-6.275

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 7

7

Frac. of Rot. bonds:

0.259

AgroPAD

Photostability

Num. arom. bonds:

8

Num. arom. atoms:

8

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

7

topoDiameter:

13

TopoPSA:

17.07
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.222

QEF:

0.367

Gau:

5.13942