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Flufiprole

Flufiprole structure

CAS No:
704886-18-0
Formula:
C16H10Cl2F6N4OS
Chemical Name:
Flufiprole
Synonyms:
Flufiprole
Categories:
Agrochemicals > Insecticides

Description

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2-methylprop-2-en-1-yl)amino]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile is a member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfinyl, and (2-methylprop-2-en-1-yl)nitrilo groups, respectively. It is a dichlorobenzene, a member of (trifluoromethyl)benzenes, a member of pyrazoles, a nitrile and a sulfoxide.

Flufiprole Basic Attributes

Molecular Weight：

491.2382192

Exact Mass：

489.98600

Characteristics

PSA：

89.9

XLogP3：

6.62368

Density：

1.61±0.1 g/cm3(Predicted)

Drug Information

MeSH Entry Terms：

1-(2,6-dichloro-4-trifluoromethylphenyl)-5-(N-(2-methylprop-2-enyl)amino)-4-trifluoromethylsulfinylpyrazole-3-carbonitrile

Computed Properties

Molecular Weight:491.2
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:489.9856565
Monoisotopic Mass:489.9856565
Topological Polar Surface Area:89.9
Heavy Atom Count:30
Complexity:715
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes