2-(4-chlorophenyl)-4-(2,6-difluorobenzoyl)morpholine

• ChemBase ID: 400497
• Molecular Formular: C17H14ClF2NO2
• Molecular Mass: 337.7483664
• Monoisotopic Mass: 337.06811281
• SMILES: C(=O)(N1CC(c2ccc(cc2)Cl)OCC1)c1c(F)cccc1F
• Canonical SMILES: O=C(c1c(F)cccc1F)N1CCOC(C1)c1ccc(cc1)Cl
• InChI: InChI=1S/C17H14ClF2NO2/c18-12-6-4-11(5-7-12)15-10-21(8-9-23-15)17(22)16-13(19)2-1-3-14(16)20/h1-7,15H,8-10H2
• InChIKey: XAASWAQKMHAAJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chlorophenyl)-4-(2,6-difluorobenzoyl)morpholine
• IUPAC Traditional name: 2-(4-chlorophenyl)-4-(2,6-difluorobenzoyl)morpholine
• Synonyms: 2-(4-chlorophenyl)-4-(2,6-difluorobenzoyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7264266
• LogD (pH = 7.4): 3.7264266
• Log P: 3.7264266
• Molar Refractivity: 83.5247 cm^3
• Polarizability: 31.393688 Å^3
• Polar Surface Area: 29.54 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: 1.84
• LOG S: -3.23
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2