2-(4-fluorophenyl)-6-methylmorpholine

• ChemBase ID: 279287
• Molecular Formular: C11H14FNO
• Molecular Mass: 195.2333632
• Monoisotopic Mass: 195.10594229
• SMILES: O1C(c2ccc(cc2)F)CNCC1C
• Canonical SMILES: CC1CNCC(O1)c1ccc(cc1)F
• InChI: InChI=1S/C11H14FNO/c1-8-6-13-7-11(14-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3
• InChIKey: LKPBWYNPOQOBRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-6-methylmorpholine
• IUPAC Traditional name: 2-(4-fluorophenyl)-6-methylmorpholine
• Synonyms: 2-(4-fluorophenyl)-6-methylmorpholine

Database IDs

• MDL Number: MFCD11652914
• PubChem SID: 164335197
• PubChem CID: 43367000

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6906974
• LogD (pH = 7.4): 1.0342
• Log P: 1.9321382
• Molar Refractivity: 52.6859 cm^3
• Polarizability: 20.675026 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.812

Product Information

• Purity: 95%