2-(2-fluorophenoxy)propanehydrazide

• ChemBase ID: 232546
• Molecular Formular: C9H11FN2O2
• Molecular Mass: 198.1942432
• Monoisotopic Mass: 198.08045582
• SMILES: C(=O)(C(Oc1c(F)cccc1)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccccc1F)C
• InChI: InChI=1S/C9H11FN2O2/c1-6(9(13)12-11)14-8-5-3-2-4-7(8)10/h2-6H,11H2,1H3,(H,12,13)
• InChIKey: FEPALPYILGLEJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenoxy)propanehydrazide
• IUPAC Traditional name: 2-(2-fluorophenoxy)propanehydrazide
• Synonyms: 2-(2-fluorophenoxy)propanohydrazide

Database IDs

• MDL Number: MFCD02295760
• PubChem SID: 164288456
• PubChem CID: 3865677

CALCULATED PROPERTIES

• Acid pKa: 11.344822
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.9002066
• LogD (pH = 7.4): 0.9015433
• Log P: 0.9016057
• Molar Refractivity: 49.6224 cm^3
• Polarizability: 18.895082 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): 0.601

Product Information

• Purity: 95%