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

• ChemBase ID: 245101
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: c1(ccc(cc1)F)C(NO)C
• Canonical SMILES: ONC(c1ccc(cc1)F)C
• InChI: InChI=1S/C8H10FNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2-6,10-11H,1H3
• InChIKey: UDGVTTIVLBBJBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-fluorophenyl)ethyl]hydroxylamine
• IUPAC Traditional name: N-[1-(4-fluorophenyl)ethyl]hydroxylamine
• Synonyms: N-[1-(4-fluorophenyl)ethyl]hydroxylamine

Database IDs

• MDL Number: MFCD11592159
• PubChem SID: 164301011
• PubChem CID: 13389032

CALCULATED PROPERTIES

• Acid pKa: 15.652499
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7461083
• LogD (pH = 7.4): 1.7666613
• Log P: 1.7669297
• Molar Refractivity: 51.424 cm^3
• Polarizability: 15.819054 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 1.116

Product Information

• Purity: 95%