3,5-difluoro-4-hydrazinyl-N,N-dimethylbenzamide

• ChemBase ID: 241096
• Molecular Formular: C9H11F2N3O
• Molecular Mass: 215.1999464
• Monoisotopic Mass: 215.08701843
• SMILES: c1(c(cc(C(=O)N(C)C)cc1F)F)NN
• Canonical SMILES: NNc1c(F)cc(cc1F)C(=O)N(C)C
• InChI: InChI=1S/C9H11F2N3O/c1-14(2)9(15)5-3-6(10)8(13-12)7(11)4-5/h3-4,13H,12H2,1-2H3
• InChIKey: ZFXHURGDJRVACX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-difluoro-4-hydrazinyl-N,N-dimethylbenzamide
• IUPAC Traditional name: 3,5-difluoro-4-hydrazinyl-N,N-dimethylbenzamide
• Synonyms: 3,5-difluoro-4-hydrazinyl-N,N-dimethylbenzamide

Database IDs

• MDL Number: MFCD18285489
• PubChem SID: 164297006
• PubChem CID: 63186591

CALCULATED PROPERTIES

• Acid pKa: 12.215323
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.9013951
• LogD (pH = 7.4): 0.9320138
• Log P: 0.94828475
• Molar Refractivity: 55.0693 cm^3
• Polarizability: 18.916388 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 0.74

Product Information

• Purity: 95%