8-[(2,6-difluorophenyl)methyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 329755
• Molecular Formular: C16H20F2N2O2
• Molecular Mass: 310.3390064
• Monoisotopic Mass: 310.14928433
• SMILES: N1(C2(CCN(Cc3c(F)cccc3F)CC2)CCC1=O)OC
• Canonical SMILES: CON1C(=O)CCC21CCN(CC2)Cc1c(F)cccc1F
• InChI: InChI=1S/C16H20F2N2O2/c1-22-20-15(21)5-6-16(20)7-9-19(10-8-16)11-12-13(17)3-2-4-14(12)18/h2-4H,5-11H2,1H3
• InChIKey: CKOMFLBHRDAZMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2,6-difluorophenyl)methyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[(2,6-difluorophenyl)methyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(2,6-difluorobenzyl)-1-methoxy-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.1770405
• LogD (pH = 7.4): 1.5883405
• Log P: 1.7556216
• Molar Refractivity: 78.8909 cm^3
• Polarizability: 30.118118 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.37
• LOG S: -2.63
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3