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Molecule
Aluminate(3-), Hexafluoro-, Potassium (1:3), (Oc-6-11)-
CAS: 13775-52-5 · AlF6K3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13775-52-5
- Molecular Formula
- AlF6K3
- Molecular Mass
- 258.26 g/mol
Identifiers
CAS Registry Number
13775-52-5
SMILES
[Al+3].[F-].[F-].[F-].[F-].[F-].[F-].[K+].[K+].[K+]
InChI Key
ZIZQEDPMQXFXTE-UHFFFAOYSA-H
InChI
InChI=1S/Al.6FH.3K/h;6*1H;;;/q+3;;;;;;;3*+1/p-6
Names and Synonyms
- Aluminate(3-), Hexafluoro-, Potassium (1:3), (Oc-6-11)- Synonym
- Aluminate(3-), hexafluoro-, potassium (1:3), (OC-6-11)- Synonym
- Aluminate(3-), hexafluoro-, tripotassium Synonym
- Potassium hexafluoroaluminate Synonym
- Aluminate(3-), hexafluoro-, tripotassium, (OC-6-11)- Synonym
- Potassium hexafluoroaluminate (K3[AlF6]) Synonym
- Aluminum potassium fluoride (K3AlF6) Synonym
- Tripotassium hexafluoroaluminate Synonym
- Tripotassium hexafluoroaluminate(3-) Synonym
- Potassium fluoaluminate (K3AlF6) Synonym
- Potassium aluminum fluoride (K3AlF6) Synonym
- Potassium fluoroaluminate Synonym
- Aluminum potassium fluoride (AlK3F6) Synonym
- Aluminum tripotassium hexafluoride Synonym
- Potassium hexafluoroaluminate(3-) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.26 g/mol | CAS Common Chemistry |
| 258.26400000000007 g/mol | RDKit | |
| 258.264 g/mol | RDKit | |
| 270.36 g/mol | chempirical lib | |
| Canonical SMILES | [K+].[F-][Al+3]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/Al.6FH.3K/h;6*1H;;;/q+3;;;;;;;3*+1/p-6 | CAS Common Chemistry |
| InChI Key | InChIKey=ZIZQEDPMQXFXTE-UHFFFAOYSA-H | CAS Common Chemistry |
| Melting Point | 548 °C | CAS Common Chemistry |
| Name | Aluminate(3-), hexafluoro-, potassium (1:3), (OC-6-11)- | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | -27.344799999999996 | RDKit |
| -27.3448 | RDKit | |
| Molar Refractivity | 5.754 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 257.86307799 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 258.26 g/mol. Edit any field — others recompute live.
