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Molecule
Acetic Acid, 2,2,2-Trifluoro-, Potassium Salt (1:1)
CAS: 2923-16-2 · C2HF3KO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2923-16-2
- Molecular Formula
- C2HF3KO2
- Molecular Mass
- 153.12 g/mol
Identifiers
CAS Registry Number
2923-16-2
SMILES
O=C(O)C(F)(F)F.[K]
InChI Key
SIMZKPFFQPBRPY-UHFFFAOYSA-N
InChI
InChI=1S/C2HF3O2.K/c3-2(4,5)1(6)7;/h(H,6,7);
Names and Synonyms
- Acetic Acid, 2,2,2-Trifluoro-, Potassium Salt (1:1) Synonym
- Acetic acid, 2,2,2-trifluoro-, potassium salt (1:1) Synonym
- Acetic acid, trifluoro-, potassium salt Synonym
- Potassium trifluoroacetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.12 g/mol | CAS Common Chemistry |
| 154.128 g/mol | chempirical lib | |
| Density | 2.43 g/cm³ | CAS Common Chemistry |
| 2.433 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [K].O=C(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C2HF3O2.K/c3-2(4,5)1(6)7;/h(H,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=SIMZKPFFQPBRPY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 143-145 °C | CAS Common Chemistry |
| Name | Acetic acid, 2,2,2-trifluoro-, potassium salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 0.2525 | RDKit |
| Molar Refractivity | 19.4448 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 152.956570612 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 153.12 g/mol; density = 2.430 g/mL. Edit any field — others recompute live.
