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

• ChemBase ID: 273870
• Molecular Formular: C8H9FN2O
• Molecular Mass: 168.1682632
• Monoisotopic Mass: 168.06989114
• SMILES: C(=N\O)(/Cc1ccc(F)cc1)\N
• Canonical SMILES: O/N=C(/Cc1ccc(cc1)F)\N
• InChI: InChI=1S/C8H9FN2O/c9-7-3-1-6(2-4-7)5-8(10)11-12/h1-4,12H,5H2,(H2,10,11)
• InChIKey: VVFOLYZJDVRHLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07606939
• PubChem SID: 164329780
• PubChem CID: 9663732

CALCULATED PROPERTIES

• Acid pKa: 10.695741
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7760365
• LogD (pH = 7.4): 1.0088903
• Log P: 1.0133998
• Molar Refractivity: 43.348 cm^3
• Polarizability: 16.2645 Å^3
• Polar Surface Area: 58.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.5

Product Information

• Purity: 95%