2-[(3,5-difluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 455840
• Molecular Formular: C16H20F2N2O
• Molecular Mass: 294.3396064
• Monoisotopic Mass: 294.15436971
• SMILES: N1(C(=O)CC2(C1)CCN(CC2)C)Cc1cc(cc(c1)F)F
• Canonical SMILES: CN1CCC2(CC1)CN(C(=O)C2)Cc1cc(F)cc(c1)F
• InChI: InChI=1S/C16H20F2N2O/c1-19-4-2-16(3-5-19)9-15(21)20(11-16)10-12-6-13(17)8-14(18)7-12/h6-8H,2-5,9-11H2,1H3
• InChIKey: VFXQSRRNGXNUDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3,5-difluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-[(3,5-difluorophenyl)methyl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3,5-difluorobenzyl)-8-methyl-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5103507
• LogD (pH = 7.4): 0.12479314
• Log P: 1.6400211
• Molar Refractivity: 77.5946 cm^3
• Polarizability: 29.38083 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2
• H Acceptors: 2
• H Donor: 0
• Log P: 2.08
• LOG S: -3.12