dotriacontafluoropentadecane

• ChemBase ID: 100870
• Molecular Formular: C15F32
• Molecular Mass: 788.1094024
• Monoisotopic Mass: 787.94890304
• SMILES: FC(C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)C(F)(C(F)(F)C(C(C(F)(F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C15F32/c16-1(17,2(18,19)4(22,23)6(26,27)8(30,31)10(34,35)12(38,39)14(42,43)44)3(20,21)5(24,25)7(28,29)9(32,33)11(36,37)13(40,41)15(45,46)47
• InChIKey: QKYNDPROJKKCEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dotriacontafluoropentadecane
• IUPAC Traditional name: dotriacontafluoropentadecane
• Synonyms: Dotriacontafluoropentadecane; Perfluoropentadecane 95%; Perfluoropentadecane; 三十二氟十五烷; 全氟十五烷

Database IDs

• CAS Number: 2264-03-1
• MDL Number: MFCD00239439
• PubChem SID: 24868297; 162086991
• PubChem CID: 2760326

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.190073
• LogD (pH = 7.4): 11.190073
• Log P: 11.190073
• Molar Refractivity: 73.5532 cm^3
• Polarizability: 29.719894 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 110-113 °C(lit.); 110-113°C
• Boiling Point: 228 °C(lit.); 228°C

Safety Information

• Storage Warning: Flammable
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98%
• Linear Formula: CF3(CF2)13CF3

DETAILS

Sigma Aldrich - 446807

Packaging
5 g in glass bottle