4-[6-(trifluoromethyl)pyridin-2-yl]morpholine

• ChemBase ID: 100467
• Molecular Formular: C10H11F3N2O
• Molecular Mass: 232.2023496
• Monoisotopic Mass: 232.08234764
• SMILES: N1(c2nc(ccc2)C(F)(F)F)CCOCC1
• Canonical SMILES: FC(c1cccc(n1)N1CCOCC1)(F)F
• InChI: InChI=1S/C10H11F3N2O/c11-10(12,13)8-2-1-3-9(14-8)15-4-6-16-7-5-15/h1-3H,4-7H2
• InChIKey: JFICRODZQJYJRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[6-(trifluoromethyl)pyridin-2-yl]morpholine
• IUPAC Traditional name: 4-[6-(trifluoromethyl)pyridin-2-yl]morpholine
• Synonyms: 2-(Morpholin-4-yl)-6-(trifluoromethyl)pyridine; 4-[6-(Trifluoromethyl)pyridin-2-yl]morpholine 97%

Database IDs

• MDL Number: MFCD08056342
• PubChem SID: 162086474
• PubChem CID: 26596973

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5025325
• LogD (pH = 7.4): 2.5032637
• Log P: 2.5032732
• Molar Refractivity: 53.3194 cm^3
• Polarizability: 19.147423 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Air Sensitive