2-(3-fluorophenyl)acetohydrazide

• ChemBase ID: 35512
• Molecular Formular: C8H9FN2O
• Molecular Mass: 168.1682632
• Monoisotopic Mass: 168.06989114
• SMILES: C(=O)(NN)Cc1cc(F)ccc1
• Canonical SMILES: NNC(=O)Cc1cccc(c1)F
• InChI: InChI=1S/C8H9FN2O/c9-7-3-1-2-6(4-7)5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
• InChIKey: FJKYRKLTOUUAFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenyl)acetohydrazide
• IUPAC Traditional name: 2-(3-fluorophenyl)acetohydrazide
• Synonyms: 2-(3-Fluorophenyl)acetohydrazide

Database IDs

• MDL Number: MFCD09813622
• PubChem SID: 160998819
• PubChem CID: 12289202

CALCULATED PROPERTIES

• Acid pKa: 11.825968
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.64850396
• LogD (pH = 7.4): 0.65024036
• Log P: 0.65027773
• Molar Refractivity: 43.8883 cm^3
• Polarizability: 16.340006 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106 - 108°C; 107 - 109 °C
• Hydrophobicity(logP): 0.287

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%