4-cyclobutanecarbonyl-2-[(3-fluorophenyl)methyl]morpholine

• ChemBase ID: 340366
• Molecular Formular: C16H20FNO2
• Molecular Mass: 277.3339032
• Monoisotopic Mass: 277.14780711
• SMILES: N1(C(=O)C2CCC2)CC(OCC1)Cc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)CC1OCCN(C1)C(=O)C1CCC1
• InChI: InChI=1S/C16H20FNO2/c17-14-6-1-3-12(9-14)10-15-11-18(7-8-20-15)16(19)13-4-2-5-13/h1,3,6,9,13,15H,2,4-5,7-8,10-11H2
• InChIKey: PLDLBKULWBAVDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclobutanecarbonyl-2-[(3-fluorophenyl)methyl]morpholine
• IUPAC Traditional name: 4-cyclobutanecarbonyl-2-[(3-fluorophenyl)methyl]morpholine
• Synonyms: 4-(cyclobutylcarbonyl)-2-(3-fluorobenzyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6385312
• LogD (pH = 7.4): 2.6385314
• Log P: 2.6385317
• Molar Refractivity: 74.5882 cm^3
• Polarizability: 28.858143 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.33
• LOG S: -3.01
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3