3-(2-fluorophenyl)-3-phenyl-1-(pyrrolidin-1-yl)propan-1-one

• ChemBase ID: 736648
• Molecular Formular: C19H20FNO
• Molecular Mass: 297.3666032
• Monoisotopic Mass: 297.15289249
• SMILES: C(=O)(CC(c1c(F)cccc1)c1ccccc1)N1CCCC1
• Canonical SMILES: O=C(N1CCCC1)CC(c1ccccc1F)c1ccccc1
• InChI: InChI=1S/C19H20FNO/c20-18-11-5-4-10-16(18)17(15-8-2-1-3-9-15)14-19(22)21-12-6-7-13-21/h1-5,8-11,17H,6-7,12-14H2
• InChIKey: YSOHSLNOMWDQOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenyl)-3-phenyl-1-(pyrrolidin-1-yl)propan-1-one
• IUPAC Traditional name: 3-(2-fluorophenyl)-3-phenyl-1-(pyrrolidin-1-yl)propan-1-one
• Synonyms: 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]pyrrolidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6652946
• LogD (pH = 7.4): 3.6652946
• Log P: 3.6652946
• Molar Refractivity: 85.9832 cm^3
• Polarizability: 32.937397 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 3.1
• LOG S: -4.61
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4