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

• ChemBase ID: 98682
• Molecular Formular: C10HF21
• Molecular Mass: 520.0814072
• Monoisotopic Mass: 519.97429265
• SMILES: FC(C(C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)C(C(C(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)F
• InChI: InChI=1S/C10HF21/c11-1(12)2(13,14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)31/h1H
• InChIKey: DSNMEFYRPYNWJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorodecane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorodecane
• Synonyms: 1H-Perfluorodecane 98%

Database IDs

• CAS Number: 375-97-3
• MDL Number: MFCD00042110
• PubChem SID: 162085067
• PubChem CID: 120226

CALCULATED PROPERTIES

• Acid pKa: 19.78678
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.1980987
• LogD (pH = 7.4): 7.1980987
• Log P: 7.1980987
• Molar Refractivity: 49.3235 cm^3
• Polarizability: 19.928232 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 31-33°C

Safety Information

• Storage Warning: Irritant