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Molecule
Lithium Hexafluorophosphate
CAS: 21324-40-3 · F6LiP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 21324-40-3
- Molecular Formula
- F6LiP
- Molecular Mass
- 151.90300000000002 g/mol
Identifiers
CAS Registry Number
21324-40-3
SMILES
F[P-](F)(F)(F)(F)F.[Li+]
InChI Key
AXPLOJNSKRXQPA-UHFFFAOYSA-N
InChI
InChI=1S/F6P.Li/c1-7(2,3,4,5)6;/q-1;+1
Names and Synonyms
- Lithium Hexafluorophosphate Synonym
- Phosphate(1-), hexafluoro-, lithium (1:1) Synonym
- Phosphate(1-), hexafluoro-, lithium Synonym
- Lithium hexafluorophosphate Synonym
- Lithium hexafluorophosphate (LiPF6) Synonym
- Lithium hexafluorophosphate(1-) Synonym
- Lithium fluophosphate Synonym
- Lithium phosphorus fluoride (LiPF6) Synonym
- LBG 45864 Synonym
- LBC 305-01 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_hexafluorophosphate | CAS Common Chemistry |
| Canonical SMILES | [Li+].[F-][P+5]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/F6P.Li/c1-7(2,3,4,5)6;/q-1;+1 | CAS Common Chemistry |
| InChI Key | InChIKey=AXPLOJNSKRXQPA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 194.29 °C (decomp) | CAS Common Chemistry |
| Name | Lithium hexafluorophosphate | CAS Common Chemistry |
| Molecular Mass | 151.90300000000002 g/mol | RDKit |
| 151.9801855 g/mol | RDKit | |
| 151.903 g/mol | RDKit | |
| 153.919 g/mol | chempirical lib | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.38639999999999963 | RDKit |
| 0.3864 | RDKit | |
| Molar Refractivity | 13.568000000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 151.90 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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7
6
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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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 = 151.90 g/mol. Edit any field — others recompute live.
