(2,3,5,6-tetrafluoro-4-methylphenyl)methyl (1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate

• ChemBase ID: 129739
• Molecular Formular: C17H14ClF7O2
• Molecular Mass: 418.7336824
• Monoisotopic Mass: 418.05705491
• SMILES: Cl/C(=C\[C@@H]1[C@H](C(=O)OCc2c(F)c(F)c(c(F)c2F)C)C1(C)C)/C(F)(F)F
• Canonical SMILES: O=C([C@H]1[C@H](C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C
• InChI: InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/t8-,10-/m1/s1
• InChIKey: ZFHGXWPMULPQSE-PSASIEDQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3,5,6-tetrafluoro-4-methylphenyl)methyl (1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
• IUPAC Traditional name: (2,3,5,6-tetrafluoro-4-methylphenyl)methyl (1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
• Synonyms: Tefluthrin

Database IDs

• CAS Number: 79538-32-2
• PubChem SID: 162224028
• PubChem CID: 11534837
• Chemspider ID: 9709620
• Wikipedia Title: Tefluthrin

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.513538
• LogD (pH = 7.4): 5.513538
• Log P: 5.513538
• Molar Refractivity: 84.871 cm^3
• Polarizability: 30.906963 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false