2-[2-(trifluoromethyl)morpholin-4-yl]quinoline

• ChemBase ID: 440197
• Molecular Formular: C14H13F3N2O
• Molecular Mass: 282.2610296
• Monoisotopic Mass: 282.09799771
• SMILES: C(C1CN(c2nc3c(cc2)cccc3)CCO1)(F)(F)F
• Canonical SMILES: FC(C1OCCN(C1)c1ccc2c(n1)cccc2)(F)F
• InChI: InChI=1S/C14H13F3N2O/c15-14(16,17)12-9-19(7-8-20-12)13-6-5-10-3-1-2-4-11(10)18-13/h1-6,12H,7-9H2
• InChIKey: ADFHMHDMYBHKCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(trifluoromethyl)morpholin-4-yl]quinoline
• IUPAC Traditional name: 2-[2-(trifluoromethyl)morpholin-4-yl]quinoline
• Synonyms: 2-[2-(trifluoromethyl)morpholin-4-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.210334
• LogD (pH = 7.4): 3.6207533
• Log P: 3.6297648
• Molar Refractivity: 68.9162 cm^3
• Polarizability: 26.424889 Å^3
• Polar Surface Area: 25.36 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: 1.53
• LOG S: -2.57
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2