2-(3-fluorophenyl)morpholine

• ChemBase ID: 269045
• Molecular Formular: C10H12FNO
• Molecular Mass: 181.2067832
• Monoisotopic Mass: 181.09029223
• SMILES: c1(cc(F)ccc1)C1OCCNC1
• Canonical SMILES: Fc1cccc(c1)C1CNCCO1
• InChI: InChI=1S/C10H12FNO/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h1-3,6,10,12H,4-5,7H2
• InChIKey: OLENKPLLMGPQSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenyl)morpholine
• IUPAC Traditional name: 2-(M-fluorophenyl)morpholine
• Synonyms: 2-(3-fluorophenyl)morpholine

Database IDs

• CAS Number: 62008-55-3
• MDL Number: MFCD11646201
• PubChem SID: 164324955
• PubChem CID: 12343540

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.93672997
• LogD (pH = 7.4): 0.797048
• Log P: 1.5155632
• Molar Refractivity: 48.2671 cm^3
• Polarizability: 18.83836 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.293

Product Information

• Purity: 95%; 98%