Back to Search
Molecule
Lithium Trifluoroacetate
CAS: 2923-17-3 · C2HF3LiO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2923-17-3
- Molecular Formula
- C2HF3LiO2
- Molecular Mass
- 120.96300000000002 g/mol
Identifiers
CAS Registry Number
2923-17-3
SMILES
O=C(O)C(F)(F)F.[Li]
InChI Key
NBVMCMSJGNOOCF-UHFFFAOYSA-N
InChI
InChI=1S/C2HF3O2.Li/c3-2(4,5)1(6)7;/h(H,6,7);
Names and Synonyms
- Lithium Trifluoroacetate Synonym
- Acetic acid, 2,2,2-trifluoro-, lithium salt (1:1) Synonym
- Acetic acid, trifluoro-, lithium salt Synonym
- Lithium trifluoroacetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.74 g/cm³ | CAS Common Chemistry |
| 1.743 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Li].O=C(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C2HF3O2.Li/c3-2(4,5)1(6)7;/h(H,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=NBVMCMSJGNOOCF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 250 °C | CAS Common Chemistry |
| Name | Lithium trifluoroacetate | CAS Common Chemistry |
| Molecular Mass | 120.96300000000002 g/mol | RDKit |
| 121.00886848200001 g/mol | RDKit | |
| 120.963 g/mol | RDKit | |
| 121.971 g/mol | chempirical lib | |
| 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 | 120.96 g/mol | CAS Common Chemistry |
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 = 120.96 g/mol; density = 1.740 g/mL. Edit any field — others recompute live.
