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Phosphorodifluoridic Acid, Lithium Salt (1:1)
CAS: 24389-25-1 | HF2LiO2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24389-25-1
Molecular Formula:
HF2LiO2P
Molecular Weight:
108.91700000000002 g/mol
Names and Synonyms:
Phosphorodifluoridic Acid, Lithium Salt (1:1)
Phosphorodifluoridic acid, lithium salt (1:1)
Phosphorodifluoridic acid, lithium salt
Lithium phosphorodifluoridate
Lithium difluorophosphate
Identifiers:
SMILES:
O=P(O)(F)F.[Li]
InChI:
InChI=1S/F2HO2P.Li/c1-5(2,3)4;/h(H,3,4);
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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 108.91700000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 108.98422689200001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.6449999999999998 | RDKit |
| molecular_mass | 108.92 g/mol | Legacy Database |
| cas-canonical-smile | [Li].O=P(F)(F)O None | Legacy Database |
| cas-inchi | InChI=1S/F2HO2P.Li/c1-5(2,3)4;/h(H,3,4); None | Legacy Database |
| cas-inchi-key | InChIKey=YSNLHLJYEBEKMC-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Phosphorodifluoridic acid, lithium salt (1:1) None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 17.7953 | RDKit |
