3-(2-fluorophenoxy)propanamide

• ChemBase ID: 269702
• Molecular Formular: C9H10FNO2
• Molecular Mass: 183.1796032
• Monoisotopic Mass: 183.06955679
• SMILES: C(=O)(CCOc1c(F)cccc1)N
• Canonical SMILES: NC(=O)CCOc1ccccc1F
• InChI: InChI=1S/C9H10FNO2/c10-7-3-1-2-4-8(7)13-6-5-9(11)12/h1-4H,5-6H2,(H2,11,12)
• InChIKey: XQWIYWLOPNHIQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenoxy)propanamide
• IUPAC Traditional name: 3-(2-fluorophenoxy)propanamide
• Synonyms: 3-(2-fluorophenoxy)propanamide

Database IDs

• MDL Number: MFCD11643184
• PubChem SID: 164325612
• PubChem CID: 43236340

CALCULATED PROPERTIES

• Acid pKa: 14.972442
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8663299
• LogD (pH = 7.4): 0.8663299
• Log P: 0.8663299
• Molar Refractivity: 45.3438 cm^3
• Polarizability: 17.460897 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 85 - 87°C
• Hydrophobicity(logP): 1.012

Product Information

• Purity: 95%