7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 678850
• Molecular Formular: C15H20F2N2
• Molecular Mass: 266.3295064
• Monoisotopic Mass: 266.15945509
• SMILES: c1(c(c(F)ccc1)F)CN1CC2(CNCC2)CCC1
• Canonical SMILES: Fc1cccc(c1F)CN1CCCC2(C1)CNCC2
• InChI: InChI=1S/C15H20F2N2/c16-13-4-1-3-12(14(13)17)9-19-8-2-5-15(11-19)6-7-18-10-15/h1,3-4,18H,2,5-11H2
• InChIKey: SNYZHDUIOMHZQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2,3-difluorobenzyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7586633
• LogD (pH = 7.4): -0.8126731
• Log P: 2.364781
• Molar Refractivity: 72.5204 cm^3
• Polarizability: 27.809265 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.13
• LOG S: -1.95
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2