N-(1-{4-[(4-fluorophenyl)methoxy]phenyl}ethylidene)hydroxylamine

• ChemBase ID: 269442
• Molecular Formular: C15H14FNO2
• Molecular Mass: 259.2755632
• Monoisotopic Mass: 259.10085691
• SMILES: C(=N\O)(/c1ccc(OCc2ccc(F)cc2)cc1)\C
• Canonical SMILES: O/N=C(/c1ccc(cc1)OCc1ccc(cc1)F)\C
• InChI: InChI=1S/C15H14FNO2/c1-11(17-18)13-4-8-15(9-5-13)19-10-12-2-6-14(16)7-3-12/h2-9,18H,10H2,1H3
• InChIKey: DVFHLLSPLNIERZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{4-[(4-fluorophenyl)methoxy]phenyl}ethylidene)hydroxylamine
• IUPAC Traditional name: N-(1-{4-[(4-fluorophenyl)methoxy]phenyl}ethylidene)hydroxylamine
• Synonyms: N-(1-{4-[(4-fluorophenyl)methoxy]phenyl}ethylidene)hydroxylamine

Database IDs

• MDL Number: MFCD12621376
• PubChem SID: 164325352
• PubChem CID: 43185569

CALCULATED PROPERTIES

• Acid pKa: 8.784051
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2493443
• LogD (pH = 7.4): 3.2323205
• Log P: 3.249877
• Molar Refractivity: 71.5747 cm^3
• Polarizability: 27.17778 Å^3
• Polar Surface Area: 41.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C
• Hydrophobicity(logP): 4.221

Product Information

• Purity: 95%