4-(4-fluorophenoxy)butanamide

• ChemBase ID: 269697
• Molecular Formular: C10H12FNO2
• Molecular Mass: 197.2061832
• Monoisotopic Mass: 197.08520685
• SMILES: C(=O)(N)CCCOc1ccc(F)cc1
• Canonical SMILES: NC(=O)CCCOc1ccc(cc1)F
• InChI: InChI=1S/C10H12FNO2/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H2,12,13)
• InChIKey: XTZDDXIQIAMJCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenoxy)butanamide
• IUPAC Traditional name: 4-(4-fluorophenoxy)butanamide
• Synonyms: 4-(4-fluorophenoxy)butanamide

Database IDs

• MDL Number: MFCD11643974
• PubChem SID: 164325607
• PubChem CID: 43244704

CALCULATED PROPERTIES

• Acid pKa: 15.1387205
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.154991
• LogD (pH = 7.4): 1.1549911
• Log P: 1.1549911
• Molar Refractivity: 50.0988 cm^3
• Polarizability: 19.285915 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 - 127°C
• Hydrophobicity(logP): 1.585

Product Information

• Purity: 95%