2-[(2-fluorophenyl)amino]acetohydrazide

• ChemBase ID: 230562
• Molecular Formular: C8H10FN3O
• Molecular Mass: 183.1829032
• Monoisotopic Mass: 183.08079018
• SMILES: C(=O)(NN)CNc1c(F)cccc1
• Canonical SMILES: NNC(=O)CNc1ccccc1F
• InChI: InChI=1S/C8H10FN3O/c9-6-3-1-2-4-7(6)11-5-8(13)12-10/h1-4,11H,5,10H2,(H,12,13)
• InChIKey: XCWWDLJSTDGTTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-fluorophenyl)amino]acetohydrazide
• IUPAC Traditional name: 2-[(2-fluorophenyl)amino]acetohydrazide
• Synonyms: (2-Fluoro-phenylamino)-acetic acid hydrazide

Database IDs

• CAS Number: 2371-27-9
• MDL Number: MFCD03955535
• PubChem SID: 164286472
• PubChem CID: 302633

CALCULATED PROPERTIES

• Acid pKa: 11.86148
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.03777888
• LogD (pH = 7.4): -0.03673559
• Log P: -0.03670912
• Molar Refractivity: 48.8591 cm^3
• Polarizability: 17.508173 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 0.369

Product Information

• Purity: 95%