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Acetic Acid, 2,2,2-Trifluoro-, Potassium Salt (1:1)
CAS: 2923-16-2 | C2HF3KO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2923-16-2
Molecular Formula:
C2HF3KO2
Molecular Weight:
153.12 g/mol
Names and Synonyms:
Acetic Acid, 2,2,2-Trifluoro-, Potassium Salt (1:1)
Acetic acid, 2,2,2-trifluoro-, potassium salt (1:1)
Acetic acid, trifluoro-, potassium salt
Potassium trifluoroacetate
Identifiers:
SMILES:
O=C(O)C(F)(F)F.[K]
InChI:
InChI=1S/C2HF3O2.K/c3-2(4,5)1(6)7;/h(H,6,7);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
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.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 153.12 g/mol | Legacy Database |
| density | 2.43 g/cm³ | Legacy Database | |
| cas-canonical-smile | [K].O=C(O)C(F)(F)F | Legacy Database | |
| cas-density | 2.433 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1S/C2HF3O2.K/c3-2(4,5)1(6)7;/h(H,6,7); | Legacy Database | |
| cas-inchi-key | InChIKey=SIMZKPFFQPBRPY-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 143-145 °C | Legacy Database | |
| cas-name | Acetic acid, 2,2,2-trifluoro-, potassium salt (1:1) | Legacy Database | |
| LogP | 0.2525 | RDKit | |
| Molecular | Molecular Weight | 153.12 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.956570612 g/mol | RDKit |
| Heavy | Heavy Atom Count | 8 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 37.3 Ų | RDKit |
| Molar | Molar Refractivity | 19.4448 | RDKit |
