2-(4-fluorophenoxy)-N'-hydroxyethanimidamide

• ChemBase ID: 239614
• Molecular Formular: C8H9FN2O2
• Molecular Mass: 184.1676632
• Monoisotopic Mass: 184.06480576
• SMILES: C(=N\O)(/COc1ccc(F)cc1)\N
• Canonical SMILES: O/N=C(/COc1ccc(cc1)F)\N
• InChI: InChI=1S/C8H9FN2O2/c9-6-1-3-7(4-2-6)13-5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)
• InChIKey: IJOASYDRQSEFBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenoxy)-N'-hydroxyethanimidamide
• IUPAC Traditional name: 2-(4-fluorophenoxy)-N'-hydroxyethanimidamide
• Synonyms: 2-(4-fluorophenoxy)-N'-hydroxyethanimidamide

Database IDs

• MDL Number: MFCD08059466
• PubChem SID: 164295524
• PubChem CID: 24707103

CALCULATED PROPERTIES

• Acid pKa: 8.695079
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.65859896
• LogD (pH = 7.4): 0.67036575
• Log P: 0.6959636
• Molar Refractivity: 44.5882 cm^3
• Polarizability: 16.999165 Å^3
• Polar Surface Area: 67.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.317

Product Information

• Purity: 95%