2-(4-fluorophenyl)morpholin-3-one

• ChemBase ID: 801625
• Molecular Formular: C10H10FNO2
• Molecular Mass: 195.1903032
• Monoisotopic Mass: 195.06955679
• SMILES: C1(=O)C(OCCN1)c1ccc(cc1)F
• Canonical SMILES: O=C1NCCOC1c1ccc(cc1)F
• InChI: InChI=1S/C10H10FNO2/c11-8-3-1-7(2-4-8)9-10(13)12-5-6-14-9/h1-4,9H,5-6H2,(H,12,13)
• InChIKey: MJXGEPFKPHQURW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)morpholin-3-one
• IUPAC Traditional name: 2-(4-fluorophenyl)morpholin-3-one
• Synonyms: 2-(4-FLUOROPHENYL)MORPHOLIN-3-ONE

CALCULATED PROPERTIES

• Acid pKa: 11.827372
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.92687243
• LogD (pH = 7.4): 0.9268582
• Log P: 0.9268726
• Molar Refractivity: 48.4213 cm^3
• Polarizability: 18.5848 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%