CAS 82657-04-3|Bifenthrin|(2-methyl-3-phenylphenyl)methyl (1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate|(2-methyl-3-phenylphenyl)methyl (1S,3S)-3-(2-chlor...

General Information

Structure

Molecular Formula

C₂₃H₂₂ClF₃O₂

Molecular Mass

422.8677896

Exact Mass

422.12604228

Charge

InChI

InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/t18-,20-/m1/s1

InChIKey

OMFRMAHOUUJSGP-UYAOXDASSA-N

Canonic Smiles

O=C([C@H]1[C@H](C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1

Isomeric Smiles

Cl/C(=C\[C@@H]1[C@H](C(=O)OCc2cccc(c3ccccc3)c2C)C1(C)C)/C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

6.589956

LogD (pH = 7.4)

6.589956

Log P

6.589956

Molar Refractivity

109.1416

Polarizability

42.191174

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Synonyms

Bifenthrin3-[(1Z)-2-Chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethylcyclopropanecarboxylic acid (2-methylbiphenyl-3-yl)methyl esterBifenthrin联苯菊酯溶液3-[(1Z)-2-氯-3,3,3-三氟-1-丙烯基]-2,2-二甲基环丙烷羧酸(2-甲基联苯-3-基)甲基酯氟氯菊酯Bifenthrin solution

IUPAC Traditional name

(2-methyl-3-phenylphenyl)methyl (1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate

IUPAC name

(2-methyl-3-phenylphenyl)methyl (1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate

Names and Identifiers

Registration numbers

Chemspider ID

9114004

PubChem CID

10938769

CHEMBL

44019