potassium 1,2,2,3,3,4,5,5,6,6-decafluoro-4-(pentafluoroethyl)cyclohexane-1-sulfonate

• ChemBase ID: 93351
• Molecular Formular: C8F15KO3S
• Molecular Mass: 500.223148
• Monoisotopic Mass: 499.89656984
• SMILES: FC1(F)C(F)(F)C(C(F)(F)C(C1(F)S(=O)(=O)[O-])(F)F)(F)C(F)(F)C(F)(F)F.[K+]
• Canonical SMILES: FC(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)S(=O)(=O)[O-])(C(F)(F)F)F.[K+]
• InChI: InChI=1S/C8HF15O3S.K/c9-1(4(14,15)8(21,22)23)2(10,11)5(16,17)7(20,27(24,25)26)6(18,19)3(1,12)13;/h(H,24,25,26);/q;+1/p-1
• InChIKey: LRIBRUAEJSZTFO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 1,2,2,3,3,4,5,5,6,6-decafluoro-4-(pentafluoroethyl)cyclohexane-1-sulfonate
• IUPAC Traditional name: potassium ion 1,2,2,3,3,4,5,5,6,6-decafluoro-4-(pentafluoroethyl)cyclohexane-1-sulfonate
• Synonyms: Perfluoro-4-ethylcyclohexanesulphonic acid potassium salt

Database IDs

• CAS Number: 335-24-0
• MDL Number: MFCD00236737
• PubChem SID: 162080036
• PubChem CID: 23668548

CALCULATED PROPERTIES

• Acid pKa: -3.1132865
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3522809
• LogD (pH = 7.4): 2.3522806
• Log P: 4.728679
• Molar Refractivity: 46.2077 cm^3
• Polarizability: 19.905888 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 390°C

DETAILS

Apollo Scientific Ltd - PC0671

Surfactant for electroplating