1-(3-fluorophenyl)azetidin-2-one

• ChemBase ID: 242852
• Molecular Formular: C9H8FNO
• Molecular Mass: 165.1643232
• Monoisotopic Mass: 165.0589921
• SMILES: N1(C(=O)CC1)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)N1CCC1=O
• InChI: InChI=1S/C9H8FNO/c10-7-2-1-3-8(6-7)11-5-4-9(11)12/h1-3,6H,4-5H2
• InChIKey: SBSNVYONSDQXQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluorophenyl)azetidin-2-one
• IUPAC Traditional name: 1-(3-fluorophenyl)azetidin-2-one
• Synonyms: 1-(3-fluorophenyl)azetidin-2-one

Database IDs

• PubChem SID: 164298762
• PubChem CID: 71757094

CALCULATED PROPERTIES

• Acid pKa: 19.382647
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.156066
• LogD (pH = 7.4): 1.156066
• Log P: 1.156066
• Molar Refractivity: 42.3936 cm^3
• Polarizability: 16.012146 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.686

Product Information

• Purity: 95%