7-[(2-chloro-6-fluorophenyl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one

• ChemBase ID: 519957
• Molecular Formular: C15H17ClFNO2
• Molecular Mass: 297.7523832
• Monoisotopic Mass: 297.09318469
• SMILES: N1(Cc2c(Cl)cccc2F)C(=O)CCC2(C1)COCC2
• Canonical SMILES: O=C1CCC2(CN1Cc1c(F)cccc1Cl)CCOC2
• InChI: InChI=1S/C15H17ClFNO2/c16-12-2-1-3-13(17)11(12)8-18-9-15(5-4-14(18)19)6-7-20-10-15/h1-3H,4-10H2
• InChIKey: ZIFAJWLFVQQNMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-chloro-6-fluorophenyl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
• IUPAC Traditional name: 7-[(2-chloro-6-fluorophenyl)methyl]-2-oxa-7-azaspiro[4.5]decan-8-one
• Synonyms: 7-(2-chloro-6-fluorobenzyl)-2-oxa-7-azaspiro[4.5]decan-8-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.191651
• LogD (pH = 7.4): 2.1916513
• Log P: 2.1916513
• Molar Refractivity: 75.0534 cm^3
• Polarizability: 28.948425 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.68
• LOG S: -3.88
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2