2-(4-fluoro-3-methylphenyl)morpholine

• ChemBase ID: 245108
• Molecular Formular: C11H14FNO
• Molecular Mass: 195.2333632
• Monoisotopic Mass: 195.10594229
• SMILES: c1(cc(c(cc1)F)C)C1OCCNC1
• Canonical SMILES: Fc1ccc(cc1C)C1CNCCO1
• InChI: InChI=1S/C11H14FNO/c1-8-6-9(2-3-10(8)12)11-7-13-4-5-14-11/h2-3,6,11,13H,4-5,7H2,1H3
• InChIKey: QJEDQKWSLOOTKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluoro-3-methylphenyl)morpholine
• IUPAC Traditional name: 2-(4-fluoro-3-methylphenyl)morpholine
• Synonyms: 2-(4-fluoro-3-methylphenyl)morpholine

Database IDs

• MDL Number: MFCD19314877
• PubChem SID: 164301018
• PubChem CID: 64983182

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.49889326
• LogD (pH = 7.4): 1.234721
• Log P: 2.0289845
• Molar Refractivity: 53.3083 cm^3
• Polarizability: 20.6009 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.792

Product Information

• Purity: 95%