7-[(2-fluorophenyl)methyl]-2-methyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 502868
• Molecular Formular: C16H21FN2O
• Molecular Mass: 276.3491432
• Monoisotopic Mass: 276.16379152
• SMILES: C12(C(=O)N(Cc3c(F)cccc3)CCC2)CN(CC1)C
• Canonical SMILES: CN1CCC2(C1)CCCN(C2=O)Cc1ccccc1F
• InChI: InChI=1S/C16H21FN2O/c1-18-10-8-16(12-18)7-4-9-19(15(16)20)11-13-5-2-3-6-14(13)17/h2-3,5-6H,4,7-12H2,1H3
• InChIKey: HUBZXFDYNIOWHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-fluorophenyl)methyl]-2-methyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-[(2-fluorophenyl)methyl]-2-methyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-fluorobenzyl)-2-methyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.4042397
• LogD (pH = 7.4): -0.21980476
• Log P: 2.0092535
• Molar Refractivity: 77.43 cm^3
• Polarizability: 29.672577 Å^3
• Polar Surface Area: 23.55 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: 1.98
• LOG S: -1.59
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2