2,6-difluorobenzohydrazide

• ChemBase ID: 10267
• Molecular Formular: C7H6F2N2O
• Molecular Mass: 172.1321464
• Monoisotopic Mass: 172.04481926
• SMILES: c1ccc(c(c1F)C(=O)NN)F
• Canonical SMILES: NNC(=O)c1c(F)cccc1F
• InChI: InChI=1S/C7H6F2N2O/c8-4-2-1-3-5(9)6(4)7(12)11-10/h1-3H,10H2,(H,11,12)
• InChIKey: GVZACAPOZBPAMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluorobenzohydrazide
• IUPAC Traditional name: 2,6-difluorobenzohydrazide
• Synonyms: 2,6-Difluorobenzoic acid hydrazide; 2,6-Difluorobenzhydrazide

Database IDs

• MDL Number: MFCD00119406
• PubChem SID: 160973574
• PubChem CID: 676449

CALCULATED PROPERTIES

• Acid pKa: 11.159227
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8122719
• LogD (pH = 7.4): 0.8127398
• Log P: 0.8128143
• Molar Refractivity: 40.0533 cm^3
• Polarizability: 14.13826 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false