[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-hydrazinylphenyl)phenyl]hydrazine

• ChemBase ID: 93829
• Molecular Formular: C12H6F8N4
• Molecular Mass: 358.1900656
• Monoisotopic Mass: 358.04647197
• SMILES: N(c1c(c(c(c(c1F)F)c1c(c(c(c(c1F)F)NN)F)F)F)F)N
• Canonical SMILES: NNc1c(F)c(F)c(c(c1F)F)c1c(F)c(F)c(c(c1F)F)NN
• InChI: InChI=1S/C12H6F8N4/c13-3-1(4(14)8(18)11(23-21)7(3)17)2-5(15)9(19)12(24-22)10(20)6(2)16/h23-24H,21-22H2
• InChIKey: NARLZLCXFUDITJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-hydrazinylphenyl)phenyl]hydrazine
• IUPAC Traditional name: [2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-hydrazinylphenyl)phenyl]hydrazine
• Synonyms: Octafluorodiphenyl-p-dihydrazine

Database IDs

• MDL Number: MFCD00025089
• PubChem SID: 162080494
• PubChem CID: 262906

CALCULATED PROPERTIES

• Acid pKa: 11.219986
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 3.4072604
• LogD (pH = 7.4): 3.4470682
• Log P: 3.5453718
• Molar Refractivity: 72.3388 cm^3
• Polarizability: 24.784422 Å^3
• Polar Surface Area: 76.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant