N-(3-fluoro-4-hydroxyphenyl)acetamide

• ChemBase ID: 284155
• Molecular Formular: C8H8FNO2
• Molecular Mass: 169.1530232
• Monoisotopic Mass: 169.05390672
• SMILES: c1(cc(NC(=O)C)ccc1O)F
• Canonical SMILES: CC(=O)Nc1ccc(c(c1)F)O
• InChI: InChI=1S/C8H8FNO2/c1-5(11)10-6-2-3-8(12)7(9)4-6/h2-4,12H,1H3,(H,10,11)
• InChIKey: IUKUSZOKXZUQHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-fluoro-4-hydroxyphenyl)acetamide
• IUPAC Traditional name: N-(3-fluoro-4-hydroxyphenyl)acetamide
• Synonyms: N-(3-fluoro-4-hydroxyphenyl)acetamide

Database IDs

• MDL Number: MFCD18823529
• PubChem SID: 180669686
• PubChem CID: 3014069

CALCULATED PROPERTIES

• Acid pKa: 8.405038
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.0495567
• LogD (pH = 7.4): 1.0094776
• Log P: 1.0500928
• Molar Refractivity: 43.1183 cm^3
• Polarizability: 15.560155 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.811

Product Information

• Purity: 95%