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

• ChemBase ID: 411440
• Molecular Formular: C16H22F2N2
• Molecular Mass: 280.3560864
• Monoisotopic Mass: 280.17510515
• SMILES: c1(c(c(F)ccc1)F)CN1CC2(CN(CC2)C)CCC1
• Canonical SMILES: CN1CCC2(C1)CCCN(C2)Cc1cccc(c1F)F
• InChI: InChI=1S/C16H22F2N2/c1-19-9-7-16(11-19)6-3-8-20(12-16)10-13-4-2-5-14(17)15(13)18/h2,4-5H,3,6-12H2,1H3
• InChIKey: QRZOFMOFBTZPHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.4766982
• LogD (pH = 7.4): 0.5350554
• Log P: 2.7478287
• Molar Refractivity: 77.8151 cm^3
• Polarizability: 29.645393 Å^3
• Polar Surface Area: 6.48 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: 3.26
• LOG S: -1.64
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 2