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

• ChemBase ID: 573505
• Molecular Formular: C14H13F3N2O
• Molecular Mass: 282.2610296
• Monoisotopic Mass: 282.09799771
• SMILES: N1(c2c3c(ncc2)cccc3)CC(C(F)(F)F)OCC1
• Canonical SMILES: FC(C1OCCN(C1)c1ccnc2c1cccc2)(F)F
• InChI: InChI=1S/C14H13F3N2O/c15-14(16,17)13-9-19(7-8-20-13)12-5-6-18-11-4-2-1-3-10(11)12/h1-6,13H,7-9H2
• InChIKey: NQOQJHMKSYCFGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7212714
• LogD (pH = 7.4): 2.409517
• Log P: 3.0353072
• Molar Refractivity: 68.6027 cm^3
• Polarizability: 26.423504 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: 2.61
• LOG S: -3.49
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2