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Molecule
Potassium Titanium Fluoride (K2Tif6)
CAS: 16919-27-0 · F6K2Ti
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16919-27-0
- Molecular Formula
- F6K2Ti
- Molecular Mass
- 240.05 g/mol
Identifiers
CAS Registry Number
16919-27-0
SMILES
[F-].[F-].[F-].[F-].[F-].[F-].[K+].[K+].[Ti+4]
InChI Key
RXCBCUJUGULOGC-UHFFFAOYSA-H
InChI
InChI=1S/6FH.2K.Ti/h6*1H;;;/q;;;;;;2*+1;+4/p-6
Names and Synonyms
- Potassium Titanium Fluoride (K2Tif6) Common Name
- Titanate(2-), hexafluoro-, potassium (1:2), (OC-6-11)- Synonym
- Titanate(2-), hexafluoro-, dipotassium Synonym
- Titanate(2-), hexafluoro-, dipotassium, (OC-6-11)- Synonym
- Dipotassium hexafluorotitanate Synonym
- Potassium titanium fluoride (K2TiF6) Synonym
- Dipotassium hexafluorotitanate(2-) Synonym
- Dipotassium monotitanium hexafluoride Synonym
- Potassium hexafluorotitanate (K2TiF6) Synonym
- Dipotassium titanium hexafluoride Synonym
- Potassium fluorotitanate(K2TiF6) Synonym
- NSC 187663 Synonym
- NSC 43605 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.05 g/mol | CAS Common Chemistry |
| 240.05100000000002 g/mol | RDKit | |
| 240.051 g/mol | RDKit | |
| 250.131 g/mol | chempirical lib | |
| Canonical SMILES | [K+].[F-][Ti+4]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/6FH.2K.Ti/h6*1H;;;/q;;;;;;2*+1;+4/p-6 | CAS Common Chemistry |
| InChI Key | InChIKey=RXCBCUJUGULOGC-UHFFFAOYSA-H | CAS Common Chemistry |
| Melting Point | 899 °C | CAS Common Chemistry |
| Name | Potassium titanium fluoride (K2TiF6) | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | -23.970499999999998 | RDKit |
| -23.9705 | RDKit | |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 239.86577898000002 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
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MW = 240.05 g/mol. Edit any field — others recompute live.
