(E)-N-(2-fluoro-1-phenylethylidene)hydroxylamine

• ChemBase ID: 256705
• Molecular Formular: C8H8FNO
• Molecular Mass: 153.1536232
• Monoisotopic Mass: 153.0589921
• SMILES: C(=N\O)(\c1ccccc1)/CF
• Canonical SMILES: FC/C(=N/O)/c1ccccc1
• InChI: InChI=1S/C8H8FNO/c9-6-8(10-11)7-4-2-1-3-5-7/h1-5,11H,6H2/b10-8-
• InChIKey: OFWZPQGMRGQECG-NTMALXAHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-(2-fluoro-1-phenylethylidene)hydroxylamine
• IUPAC Traditional name: (E)-N-(2-fluoro-1-phenylethylidene)hydroxylamine
• Synonyms: (1E)-2-fluoro-1-phenylethanone oxime

Database IDs

• MDL Number: MFCD11099445
• PubChem SID: 164312615
• PubChem CID: 5839017

CALCULATED PROPERTIES

• Acid pKa: 7.820289
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6120267
• LogD (pH = 7.4): 1.4749668
• Log P: 1.6142168
• Molar Refractivity: 40.2926 cm^3
• Polarizability: 15.122051 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.744

Product Information

• Purity: 95%