4-(5-fluoropyridin-2-yl)morpholine

• ChemBase ID: 290833
• Molecular Formular: C9H11FN2O
• Molecular Mass: 182.1948432
• Monoisotopic Mass: 182.0855412
• SMILES: Fc1cnc(N2CCOCC2)cc1
• Canonical SMILES: Fc1ccc(nc1)N1CCOCC1
• InChI: InChI=1S/C9H11FN2O/c10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h1-2,7H,3-6H2
• InChIKey: HLBKOFJFVMVGBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-fluoropyridin-2-yl)morpholine
• IUPAC Traditional name: 4-(5-fluoropyridin-2-yl)morpholine
• Synonyms: 4-(5-Fluoropyridin-2-yl)morpholine

Database IDs

• CAS Number: 1287217-51-9
• PubChem SID: 180676364
• PubChem CID: 53256677

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3772056
• LogD (pH = 7.4): 1.382212
• Log P: 1.3822763
• Molar Refractivity: 47.9341 cm^3
• Polarizability: 17.613 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%