hexadecafluorodecanediamide

• ChemBase ID: 9734
• Molecular Formular: C10H4F16N2O2
• Molecular Mass: 488.1254112
• Monoisotopic Mass: 488.0017289
• SMILES: C(=O)(C(C(C(C(C(C(C(C(C(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
• Canonical SMILES: NC(=O)C(C(C(C(C(C(C(C(C(=O)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H4F16N2O2/c11-3(12,1(27)29)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2(28)30/h(H2,27,29)(H2,28,30)
• InChIKey: FWBPSSMCLDHZRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecafluorodecanediamide
• IUPAC Traditional name: hexadecafluorodecanediamide
• Synonyms: Perfluorosebacamide; Perfluorosebacamide 97%

Database IDs

• CAS Number: 307-77-7
• MDL Number: MFCD00042364
• PubChem SID: 160973041
• PubChem CID: 2776359

CALCULATED PROPERTIES

• Acid pKa: 2.3099787
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.281078
• LogD (pH = 7.4): 4.281609
• Log P: 3.727505
• Molar Refractivity: 55.427 cm^3
• Polarizability: 21.932882 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 233°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false