2-(4-fluorophenyl)-N-hydroxyacetamide

• ChemBase ID: 262825
• Molecular Formular: C8H8FNO2
• Molecular Mass: 169.1530232
• Monoisotopic Mass: 169.05390672
• SMILES: C(=O)(NO)Cc1ccc(F)cc1
• Canonical SMILES: ONC(=O)Cc1ccc(cc1)F
• InChI: InChI=1S/C8H8FNO2/c9-7-3-1-6(2-4-7)5-8(11)10-12/h1-4,12H,5H2,(H,10,11)
• InChIKey: MKZWQFISDCKEPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-N-hydroxyacetamide
• IUPAC Traditional name: 2-(4-fluorophenyl)-N-hydroxyacetamide
• Synonyms: 2-(4-fluorophenyl)-N-hydroxyacetamide

Database IDs

• MDL Number: MFCD09935117
• PubChem SID: 164318735
• PubChem CID: 24696456

CALCULATED PROPERTIES

• Acid pKa: 8.859259
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.94338274
• LogD (pH = 7.4): 0.92881423
• Log P: 0.9435717
• Molar Refractivity: 41.1688 cm^3
• Polarizability: 15.583682 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.487

Product Information

• Purity: 95%