sodium 2,2,3,3-tetrafluoropropanoate

• ChemBase ID: 100369
• Molecular Formular: C3HF4NaO2
• Molecular Mass: 168.0222228
• Monoisotopic Mass: 167.98103643
• SMILES: FC(C(C(=O)[O-])(F)F)F.[Na+]
• Canonical SMILES: FC(C(C(=O)[O-])(F)F)F.[Na+]
• InChI: InChI=1S/C3H2F4O2.Na/c4-1(5)3(6,7)2(8)9;/h1H,(H,8,9);/q;+1/p-1
• InChIKey: SGUSXTMVKMPQKI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2,2,3,3-tetrafluoropropanoate
• IUPAC Traditional name: sodium 2,2,3,3-tetrafluoropropanoate
• Synonyms: Sodium 2,2,3,3-tetrafluoropropionate

Database IDs

• MDL Number: MFCD00475592
• PubChem SID: 162087809
• PubChem CID: 23672333

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: Corrosive