Back to Search
Molecule
Acetic Acid, Fluoro-, Potassium Salt
CAS: 23745-86-0 · C2H3FKO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 23745-86-0
- Molecular Formula
- C2H3FKO2
- Molecular Mass
- 117.14 g/mol
Identifiers
CAS Registry Number
23745-86-0
SMILES
O=C(O)CF.[K]
InChI Key
ZNCPLOIFYJAVBP-UHFFFAOYSA-N
InChI
InChI=1S/C2H3FO2.K/c3-1-2(4)5;/h1H2,(H,4,5);
Names and Synonyms
- Acetic Acid, Fluoro-, Potassium Salt Systematic Name
- Acetic acid, fluoro-, potassium salt Synonym
- Potassium fluoroacetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 117.14 g/mol | CAS Common Chemistry |
| 118.148 g/mol | chempirical lib | |
| Canonical SMILES | [K].O=C(O)CF | CAS Common Chemistry |
| InChI | InChI=1S/C2H3FO2.K/c3-1-2(4)5;/h1H2,(H,4,5); | CAS Common Chemistry |
| InChI Key | InChIKey=ZNCPLOIFYJAVBP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 189 °C (decomp) | CAS Common Chemistry |
| Name | Acetic acid, fluoro-, potassium salt | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | -0.34030000000000005 | RDKit |
| -0.3403 | RDKit | |
| Molar Refractivity | 19.3648 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 116.975414236 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 117.14 g/mol. Edit any field — others recompute live.
