2-fluoro-5-(morpholine-4-carbonyl)aniline

• ChemBase ID: 121120
• Molecular Formular: C11H13FN2O2
• Molecular Mass: 224.2315232
• Monoisotopic Mass: 224.09610589
• SMILES: C(=O)(N1CCOCC1)c1cc(c(cc1)F)N
• Canonical SMILES: O=C(c1ccc(c(c1)N)F)N1CCOCC1
• InChI: InChI=1S/C11H13FN2O2/c12-9-2-1-8(7-10(9)13)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6,13H2
• InChIKey: AVMNSVOUWXMAHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-(morpholine-4-carbonyl)aniline
• IUPAC Traditional name: 2-fluoro-5-(morpholine-4-carbonyl)aniline
• Synonyms: (3-amino-4-fluorophenyl)(morpholino)methanone

Database IDs

• PubChem SID: 162215473
• PubChem CID: 39246169

CALCULATED PROPERTIES

• Acid pKa: 17.96754
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.36647922
• LogD (pH = 7.4): 0.36651334
• Log P: 0.36651376
• Molar Refractivity: 58.9211 cm^3
• Polarizability: 21.376614 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true