2-(2,4-difluorophenoxy)acetohydrazide

• ChemBase ID: 27168
• Molecular Formular: C8H8F2N2O2
• Molecular Mass: 202.1581264
• Monoisotopic Mass: 202.05538395
• SMILES: C(=O)(NN)COc1c(cc(cc1)F)F
• Canonical SMILES: NNC(=O)COc1ccc(cc1F)F
• InChI: InChI=1S/C8H8F2N2O2/c9-5-1-2-7(6(10)3-5)14-4-8(13)12-11/h1-3H,4,11H2,(H,12,13)
• InChIKey: CTECUEHRWHKWDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 588676-13-5
• MDL Number: MFCD03423113
• PubChem SID: 160990475
• PubChem CID: 5005918

CALCULATED PROPERTIES

• Acid pKa: 10.457301
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.47409934
• LogD (pH = 7.4): 0.47478274
• Log P: 0.47554344
• Molar Refractivity: 45.3449 cm^3
• Polarizability: 16.894989 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