2-(4-fluorophenyl)morpholine

• ChemBase ID: 118453
• Molecular Formular: C10H12FNO
• Molecular Mass: 181.2067832
• Monoisotopic Mass: 181.09029223
• SMILES: N1CC(c2ccc(cc2)F)OCC1
• Canonical SMILES: Fc1ccc(cc1)C1OCCNC1
• InChI: InChI=1S/C10H12FNO/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12H,5-7H2
• InChIKey: MPFUBIGEMDOEIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)morpholine
• IUPAC Traditional name: 2-(4-fluorophenyl)morpholine
• Synonyms: 2-(4-fluorophenyl)morpholine oxalate; 2-(4-fluorophenyl)morpholine

Database IDs

• CAS Number: 62243-70-3
• MDL Number: MFCD09863353; MFCD03840014
• PubChem SID: 162099213
• PubChem CID: 3749227

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9870388
• LogD (pH = 7.4): 0.74725336
• Log P: 1.5155632
• Molar Refractivity: 48.2671 cm^3
• Polarizability: 18.83838 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 56 - 58°C
• Partition Coefficient: 1.527
• Hydrophobicity(logP): 1.293

Product Information

• Purity: 95%; 95+%; 98%
• Salt Data: (COOH)2