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

• ChemBase ID: 100084
• Molecular Formular: C10H11FN2O3
• Molecular Mass: 226.2043432
• Monoisotopic Mass: 226.07537044
• SMILES: N1(c2ccc(cc2F)[N+](=O)[O-])CCOCC1
• Canonical SMILES: Fc1cc(ccc1N1CCOCC1)[N+](=O)[O-]
• InChI: InChI=1S/C10H11FN2O3/c11-9-7-8(13(14)15)1-2-10(9)12-3-5-16-6-4-12/h1-2,7H,3-6H2
• InChIKey: ZEQCFSSBZPZEFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 2689-39-6
• MDL Number: MFCD03138381
• PubChem SID: 162086496
• PubChem CID: 2905489

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: 20.471094 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant