hexadecafluorodecanebis(imidamide)

• ChemBase ID: 12105
• Molecular Formular: C10H6F16N4
• Molecular Mass: 486.1558912
• Monoisotopic Mass: 486.03369773
• SMILES: C(=N)(C(C(C(C(C(C(C(C(C(=N)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
• Canonical SMILES: NC(=N)C(C(C(C(C(C(C(C(C(=N)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H6F16N4/c11-3(12,1(27)28)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2(29)30/h(H3,27,28)(H3,29,30)
• InChIKey: XHXXTJKMMCVPCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecafluorodecanebis(imidamide)
• IUPAC Traditional name: hexadecafluorodecanebis(imidamide)
• Synonyms: Perfluorosebacamidine; Perfluorosebacamidine 97%

Database IDs

• CAS Number: 865-94-1
• MDL Number: MFCD00054684
• PubChem SID: 160975412
• PubChem CID: 2776361

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 3.8665814
• LogD (pH = 7.4): 3.867154
• Log P: 3.8671613
• Molar Refractivity: 80.6152 cm^3
• Polarizability: 22.815313 Å^3
• Polar Surface Area: 99.74 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%