4-(4-fluoro-2-nitrophenyl)morpholine

• ChemBase ID: 22047
• Molecular Formular: C10H11FN2O3
• Molecular Mass: 226.2043432
• Monoisotopic Mass: 226.07537044
• SMILES: c1c(ccc(c1[N+](=O)[O-])N1CCOCC1)F
• Canonical SMILES: Fc1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
• InChI: InChI=1S/C10H11FN2O3/c11-8-1-2-9(10(7-8)13(14)15)12-3-5-16-6-4-12/h1-2,7H,3-6H2
• InChIKey: XEVFYVWDTJTEHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluoro-2-nitrophenyl)morpholine
• IUPAC Traditional name: 4-(4-fluoro-2-nitrophenyl)morpholine
• Synonyms: 4-(4-Fluoro-2-nitrophenyl)morpholine

Database IDs

• MDL Number: MFCD00798369
• PubChem SID: 160985354
• PubChem CID: 2737431

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9454753
• LogD (pH = 7.4): 1.9454753
• Log P: 1.9454753
• Molar Refractivity: 57.1022 cm^3
• Polarizability: 20.472733 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Air Sensitive/Store under Argon
• TSCA Listed: false