1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane

• ChemBase ID: 100883
• Molecular Formular: C10H2F20
• Molecular Mass: 502.090944
• Monoisotopic Mass: 501.98371446
• SMILES: FC(C(C(C(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
• Canonical SMILES: FC(C(C(C(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
• InChI: InChI=1S/C10H2F20/c11-1(12)3(15,16)5(19,20)7(23,24)9(27,28)10(29,30)8(25,26)6(21,22)4(17,18)2(13)14/h1-2H
• InChIKey: VDMQXMQJUHCJLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane
• IUPAC Traditional name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecane
• Synonyms: 1H,10H-Perfluorodecane 97%

Database IDs

• CAS Number: 3492-24-8
• MDL Number: MFCD00155783
• PubChem SID: 162086661
• PubChem CID: 2776053

CALCULATED PROPERTIES

• Acid pKa: 19.485748
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.709338
• LogD (pH = 7.4): 6.709338
• Log P: 6.709338
• Molar Refractivity: 48.4338 cm^3
• Polarizability: 19.731419 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 42-43°C
• Boiling Point: 153-154°C

Safety Information

• Storage Warning: Irritant