N-[1-(4-fluorophenyl)ethylidene]hydroxylamine

• ChemBase ID: 93377
• Molecular Formular: C8H8FNO
• Molecular Mass: 153.1536232
• Monoisotopic Mass: 153.0589921
• SMILES: N(=C(\c1ccc(cc1)F)/C)/O
• Canonical SMILES: O/N=C(/c1ccc(cc1)F)\C
• InChI: InChI=1S/C8H8FNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2-5,11H,1H3
• InChIKey: YPFOSEYKSLTSSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-fluorophenyl)ethylidene]hydroxylamine
• IUPAC Traditional name: N-[1-(4-fluorophenyl)ethylidene]hydroxylamine
• Synonyms: 4'-Fluoroacetophenone oxime 98%

Database IDs

• MDL Number: MFCD01673175
• PubChem SID: 162080062
• PubChem CID: 5359388

CALCULATED PROPERTIES

• Acid pKa: 8.168663
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6820757
• LogD (pH = 7.4): 1.6150699
• Log P: 1.6830751
• Molar Refractivity: 40.4989 cm^3
• Polarizability: 15.095249 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72-74°C

Safety Information

• Storage Warning: Irritant