2-(2,4-difluorophenoxy)propanehydrazide

• ChemBase ID: 27190
• Molecular Formular: C9H10F2N2O2
• Molecular Mass: 216.1847064
• Monoisotopic Mass: 216.07103401
• SMILES: C(=O)(C(Oc1c(cc(cc1)F)F)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccc(cc1F)F)C
• InChI: InChI=1S/C9H10F2N2O2/c1-5(9(14)13-12)15-8-3-2-6(10)4-7(8)11/h2-5H,12H2,1H3,(H,13,14)
• InChIKey: XMLJYYNXTFURTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-difluorophenoxy)propanehydrazide
• IUPAC Traditional name: 2-(2,4-difluorophenoxy)propanehydrazide
• Synonyms: 2-(2,4-Difluorophenoxy)propanohydrazide

Database IDs

• CAS Number: 588678-32-4
• MDL Number: MFCD03423123
• PubChem SID: 160990497
• PubChem CID: 5199890

CALCULATED PROPERTIES

• Acid pKa: 10.592148
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0428917
• LogD (pH = 7.4): 1.0437461
• Log P: 1.0443077
• Molar Refractivity: 49.8388 cm^3
• Polarizability: 18.697325 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false