[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

• ChemBase ID: 172584
• Molecular Formular: C17H16Cl2F4O3
• Molecular Mass: 415.2067528
• Monoisotopic Mass: 414.04126261
• SMILES: c1(c(c(c(c(c1F)COC(=O)[C@H]1C([C@@H]1C=C(Cl)Cl)(C)C)F)F)COC)F
• Canonical SMILES: COCc1c(F)c(F)c(c(c1F)F)COC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl
• InChI: InChI=1S/C17H16Cl2F4O3/c1-17(2)9(4-10(18)19)11(17)16(24)26-6-8-14(22)12(20)7(5-25-3)13(21)15(8)23/h4,9,11H,5-6H2,1-3H3/t9-,11+/m1/s1
• InChIKey: MWFQAAWRPDRKDG-KOLCDFICSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
• IUPAC Traditional name: [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
• Synonyms: (1R,3S)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic Acid [2,3,5,6-Tetrafluoro-4-(methoxymethyl)phenyl]methyl Ester; Meperfluthrin

Database IDs

• CAS Number: 915288-13-0
• PubChem SID: 164228494
• PubChem CID: 56841697

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6423965
• LogD (pH = 7.4): 4.6423965
• Log P: 4.6423965
• Molar Refractivity: 100.4743 cm^3
• Polarizability: 33.94645 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M223800

Meperfluthrin is used as a pesticides.

REFERENCES

• Clark, J., et al.: Environ. Toxicol. Chem., 8, 393 (1989)
• Kadar, A., et al.: J. Agric. Food Chem., 54, 9741 (1989)
• Ray, D., et al.: Pharmacol. Ther., 111, 174 (1989)