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

• ChemBase ID: 100466
• Molecular Formular: C10H11F3N2O
• Molecular Mass: 232.2023496
• Monoisotopic Mass: 232.08234764
• SMILES: N1(c2nccc(c2)C(F)(F)F)CCOCC1
• Canonical SMILES: FC(c1ccnc(c1)N1CCOCC1)(F)F
• InChI: InChI=1S/C10H11F3N2O/c11-10(12,13)8-1-2-14-9(7-8)15-3-5-16-6-4-15/h1-2,7H,3-6H2
• InChIKey: XLOSYRMUYALROC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08056341
• PubChem SID: 162086597
• PubChem CID: 15896765

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4943336
• LogD (pH = 7.4): 2.0983002
• Log P: 2.1174228
• Molar Refractivity: 53.6914 cm^3
• Polarizability: 19.143559 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