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

• ChemBase ID: 696282
• Molecular Formular: C14H12ClF3N2O
• Molecular Mass: 316.7060896
• Monoisotopic Mass: 316.05902535
• SMILES: n1c(N2CC(C(F)(F)F)OCC2)ccc2c1c(Cl)ccc2
• Canonical SMILES: Clc1cccc2c1nc(cc2)N1CCOC(C1)C(F)(F)F
• InChI: InChI=1S/C14H12ClF3N2O/c15-10-3-1-2-9-4-5-12(19-13(9)10)20-6-7-21-11(8-20)14(16,17)18/h1-5,11H,6-8H2
• InChIKey: PQXMKEBMHXOELL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-[2-(trifluoromethyl)morpholin-4-yl]quinoline
• IUPAC Traditional name: 8-chloro-2-[2-(trifluoromethyl)morpholin-4-yl]quinoline
• Synonyms: 8-chloro-2-[2-(trifluoromethyl)morpholin-4-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.2162433
• LogD (pH = 7.4): 4.2335835
• Log P: 4.2338095
• Molar Refractivity: 73.721 cm^3
• Polarizability: 28.397873 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: 1.78
• LOG S: -3.03
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2