4-(2-bromo-5-fluorobenzoyl)morpholine

• ChemBase ID: 99933
• Molecular Formular: C11H11BrFNO2
• Molecular Mass: 288.1129432
• Monoisotopic Mass: 286.99571882
• SMILES: N1(C(=O)c2c(ccc(c2)F)Br)CCOCC1
• Canonical SMILES: O=C(c1cc(F)ccc1Br)N1CCOCC1
• InChI: InChI=1S/C11H11BrFNO2/c12-10-2-1-8(13)7-9(10)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
• InChIKey: AJYUNBOMJFGUQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-bromo-5-fluorobenzoyl)morpholine
• IUPAC Traditional name: 4-(2-bromo-5-fluorobenzoyl)morpholine
• Synonyms: 4-(2-Bromo-5-fluorobenzoyl)morpholine

Database IDs

• MDL Number: MFCD09800908
• PubChem SID: 162086179
• PubChem CID: 24706180

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9641923
• LogD (pH = 7.4): 1.9641924
• Log P: 1.9641924
• Molar Refractivity: 61.8435 cm^3
• Polarizability: 23.193008 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant