1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoropentadecane-7,9-dione

• ChemBase ID: 12117
• Molecular Formular: C15H2F26O2
• Molecular Mass: 708.1336632
• Monoisotopic Mass: 707.96396302
• SMILES: C(C(C(C(C(C(C(=O)CC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C15H2F26O2/c16-4(17,6(20,21)8(24,25)10(28,29)12(32,33)14(36,37)38)2(42)1-3(43)5(18,19)7(22,23)9(26,27)11(30,31)13(34,35)15(39,40)41/h1H2
• InChIKey: VJPLPULMKIMOSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoropentadecane-7,9-dione
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoropentadecane-7,9-dione
• Synonyms: 8H,8H-Perfluoropentadecane-7,9-dione; Bis(perfluoroheptanoyl)methane; 8H,8H-Perfluoropentadecane-7,9-dione 97%

Database IDs

• CAS Number: 261503-74-6
• MDL Number: MFCD01075274
• PubChem SID: 160975424
• PubChem CID: 2776339

CALCULATED PROPERTIES

• Acid pKa: 2.842349
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.053733
• LogD (pH = 7.4): 6.4330935
• Log P: 9.599218
• Molar Refractivity: 74.7904 cm^3
• Polarizability: 29.273033 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%