4-(4-bromo-2-fluorobenzoyl)morpholine

• ChemBase ID: 291604
• Molecular Formular: C11H11BrFNO2
• Molecular Mass: 288.1129432
• Monoisotopic Mass: 286.99571882
• SMILES: O=C(c1ccc(Br)cc1F)N1CCOCC1
• Canonical SMILES: Brc1ccc(c(c1)F)C(=O)N1CCOCC1
• InChI: InChI=1S/C11H11BrFNO2/c12-8-1-2-9(10(13)7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
• InChIKey: NDBNMLDNDQYRTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-bromo-2-fluorobenzoyl)morpholine
• IUPAC Traditional name: 4-(4-bromo-2-fluorobenzoyl)morpholine
• Synonyms: (4-Bromo-2-fluorophenyl)(morpholino)methanone

Database IDs

• CAS Number: 924642-61-5
• MDL Number: MFCD09945068
• PubChem SID: 180677135
• PubChem CID: 24705647

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9641924
• LogD (pH = 7.4): 1.9641924
• Log P: 1.9641924
• Molar Refractivity: 61.8435 cm^3
• Polarizability: 23.19165 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%