1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane

• ChemBase ID: 100852
• Molecular Formular: C5HF11
• Molecular Mass: 270.0438752
• Monoisotopic Mass: 269.99026045
• SMILES: C(C(F)(C(C(F)(F)C(F)(F)F)(F)F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C5HF11/c6-1(7)2(8,9)3(10,11)4(12,13)5(14,15)16/h1H
• InChIKey: WXFBZGUXZMEPIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane
• Synonyms: 1H-Perfluoropentane 98%

Database IDs

• CAS Number: 375-61-1
• MDL Number: MFCD08458172
• PubChem SID: 162086965
• PubChem CID: 9816874

CALCULATED PROPERTIES

• Acid pKa: 19.78464
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.694885
• LogD (pH = 7.4): 3.694885
• Log P: 3.694885
• Molar Refractivity: 25.9835 cm^3
• Polarizability: 10.337306 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 42°C

Safety Information

• Storage Warning: Irritant