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

• ChemBase ID: 623457
• Molecular Formular: C15H20ClFN2
• Molecular Mass: 282.7841032
• Monoisotopic Mass: 282.12990455
• SMILES: c1(c(c(Cl)ccc1)F)CN1CC2(CC1)CNCCC2
• Canonical SMILES: Clc1cccc(c1F)CN1CCC2(C1)CCCNC2
• InChI: InChI=1S/C15H20ClFN2/c16-13-4-1-3-12(14(13)17)9-19-8-6-15(11-19)5-2-7-18-10-15/h1,3-4,18H,2,5-11H2
• InChIKey: PRNSEIHSSWBGBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-chloro-2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-[(3-chloro-2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(3-chloro-2-fluorobenzyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3244616
• LogD (pH = 7.4): 0.032021023
• Log P: 2.8261235
• Molar Refractivity: 77.1088 cm^3
• Polarizability: 30.03973 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: 3.04
• LOG S: -2.85
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2