[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropane-1-carboxylate

• ChemBase ID: 128391
• Molecular Formular: C18H20F4O3
• Molecular Mass: 360.3432128
• Monoisotopic Mass: 360.13485738
• SMILES: Fc1c(F)c(c(F)c(F)c1COC(=O)C1C(/C=C/C)C1(C)C)COC
• Canonical SMILES: COCc1c(F)c(F)c(c(c1F)F)COC(=O)C1C(C1(C)C)/C=C/C
• InChI: InChI=1S/C18H20F4O3/c1-5-6-11-12(18(11,2)3)17(23)25-8-10-15(21)13(19)9(7-24-4)14(20)16(10)22/h5-6,11-12H,7-8H2,1-4H3
• InChIKey: KVIZNNVXXNFLMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropane-1-carboxylate
• IUPAC Traditional name: metofluthrin
• Synonyms: Metofluthrin

Database IDs

• CAS Number: 240494-70-6
• PubChem SID: 162222698
• PubChem CID: 656636; 5282227
• Chemspider ID: 570989
• Wikipedia Title: Metofluthrin

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.274703
• LogD (pH = 7.4): 4.274703
• Log P: 4.274703
• Molar Refractivity: 85.7482 cm^3
• Polarizability: 31.839245 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true