potassium trifluoromethanesulfinate

• ChemBase ID: 98514
• Molecular Formular: CF3KO2S
• Molecular Mass: 172.1680096
• Monoisotopic Mass: 171.92081658
• SMILES: S(=O)([O-])C(F)(F)F.[K+]
• Canonical SMILES: FC(S(=O)[O-])(F)F.[K+]
• InChI: InChI=1S/CHF3O2S.K/c2-1(3,4)7(5)6;/h(H,5,6);/q;+1/p-1
• InChIKey: YJPOHGDCIPEPET-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoromethanesulfinate
• IUPAC Traditional name: potassium ion trifluoromethanesulfinate
• Synonyms: Potassium triflinate; Potassium trifluoromethanesulphinate

Database IDs

• CAS Number: 41804-89-1
• MDL Number: MFCD00054650
• PubChem SID: 162084932
• PubChem CID: 2733643

CALCULATED PROPERTIES

• Acid pKa: -4.0382323
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.87109995
• LogD (pH = 7.4): -0.8711
• Log P: 1.3927
• Molar Refractivity: 14.4173 cm^3
• Polarizability: 6.7215476 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 170-171°C

Safety Information

• Storage Warning: Irritant