2-(4-fluorophenyl)-4-(2-propoxybenzoyl)morpholine

• ChemBase ID: 598335
• Molecular Formular: C20H22FNO3
• Molecular Mass: 343.3919832
• Monoisotopic Mass: 343.15837179
• SMILES: C(=O)(N1CC(c2ccc(cc2)F)OCC1)c1c(OCCC)cccc1
• Canonical SMILES: CCCOc1ccccc1C(=O)N1CCOC(C1)c1ccc(cc1)F
• InChI: InChI=1S/C20H22FNO3/c1-2-12-24-18-6-4-3-5-17(18)20(23)22-11-13-25-19(14-22)15-7-9-16(21)10-8-15/h3-10,19H,2,11-14H2,1H3
• InChIKey: YGFNXLNPWPRZCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-4-(2-propoxybenzoyl)morpholine
• IUPAC Traditional name: 2-(4-fluorophenyl)-4-(2-propoxybenzoyl)morpholine
• Synonyms: 2-(4-fluorophenyl)-4-(2-propoxybenzoyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.701339
• LogD (pH = 7.4): 3.701339
• Log P: 3.701339
• Molar Refractivity: 94.2393 cm^3
• Polarizability: 35.947453 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.34
• LOG S: -4.56
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5