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Molecule
Titanate(2-), Hexafluoro-, Sodium (1:2), (Oc-6-11)-
CAS: 17116-13-1 · F6Na2Ti
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17116-13-1
- Molecular Formula
- F6Na2Ti
- Molecular Mass
- 207.84 g/mol
Identifiers
CAS Registry Number
17116-13-1
SMILES
[F-].[F-].[F-].[F-].[F-].[F-].[Na+].[Na+].[Ti+4]
InChI Key
HLJCWGPUCQTHFY-UHFFFAOYSA-H
InChI
InChI=1S/6FH.2Na.Ti/h6*1H;;;/q;;;;;;2*+1;+4/p-6
Names and Synonyms
- Titanate(2-), Hexafluoro-, Sodium (1:2), (Oc-6-11)- Systematic Name
- Titanate(2-), hexafluoro-, sodium (1:2), (OC-6-11)- Synonym
- Titanate(2-), hexafluoro-, disodium Synonym
- Titanate(2-), hexafluoro-, disodium, (OC-6-11)- Synonym
- Sodium hexafluorotitanate(IV) Synonym
- Sodium fluotitanate(IV) Synonym
- Sodium titanium fluoride (Na2TiF6) Synonym
- Disodium hexafluorotitanate Synonym
- Sodium hexafluorotitanate Synonym
- Disodium hexafluorotitanate(2-) Synonym
- Disodium titanium hexafluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.84 g/mol | CAS Common Chemistry |
| 207.91790418 g/mol | RDKit | |
| 207.835 g/mol | RDKit | |
| 217.915 g/mol | chempirical lib | |
| Canonical SMILES | [Na+].[F-][Ti+4]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/6FH.2Na.Ti/h6*1H;;;/q;;;;;;2*+1;+4/p-6 | CAS Common Chemistry |
| InChI Key | InChIKey=HLJCWGPUCQTHFY-UHFFFAOYSA-H | CAS Common Chemistry |
| Name | Titanate(2-), hexafluoro-, sodium (1:2), (OC-6-11)- | 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 | 207.835 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 = 207.84 g/mol. Edit any field — others recompute live.
