potassium 2,2,3,3-tetrafluoropropanoate

• ChemBase ID: 12119
• Molecular Formular: C3HF4KO2
• Molecular Mass: 184.1307528
• Monoisotopic Mass: 183.95497383
• SMILES: [O-]C(=O)C(C(F)F)(F)F.[K+]
• Canonical SMILES: FC(C(C(=O)[O-])(F)F)F.[K+]
• InChI: InChI=1S/C3H2F4O2.K/c4-1(5)3(6,7)2(8)9;/h1H,(H,8,9);/q;+1/p-1
• InChIKey: JCMUVGLPXQXZFM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 2,2,3,3-tetrafluoropropanoate
• IUPAC Traditional name: potassium 2,2,3,3-tetrafluoropropanoate; potassium ion 2,2,3,3-tetrafluoropropanoate
• Synonyms: Potassium 2,2,3,3-tetrafluoropropionate; Potassium 2,2,3,3-tetrafluoropropionate 97%

Database IDs

• CAS Number: 71592-16-0
• MDL Number: MFCD03094125
• PubChem SID: 160975426
• PubChem CID: 23681907

CALCULATED PROPERTIES

• Acid pKa: 1.7900286
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.188598
• LogD (pH = 7.4): -2.4050102
• Log P: 1.1208651
• Molar Refractivity: 28.2693 cm^3
• Polarizability: 6.855191 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%