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Molecule
Titanium(Iii) Fluoride
CAS: 13470-08-1 · F3Ti
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13470-08-1
- Molecular Formula
- F3Ti
- Molecular Mass
- 104.86099999999999 g/mol
Identifiers
CAS Registry Number
13470-08-1
SMILES
[F-].[F-].[F-].[Ti+3]
InChI Key
NLPMQGKZYAYAFE-UHFFFAOYSA-K
InChI
InChI=1S/3FH.Ti/h3*1H;/q;;;+3/p-3
Names and Synonyms
- Titanium(Iii) Fluoride Synonym
- Titanium fluoride (TiF3) Synonym
- Titanium trifluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Wikipedia Url | https://en.wikipedia.org/wiki/Titanium(III)_fluoride | CAS Common Chemistry |
| Canonical SMILES | F[Ti](F)F | CAS Common Chemistry |
| InChI | InChI=1S/3FH.Ti/h3*1H;/q;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=NLPMQGKZYAYAFE-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 300 °C (decomp) | CAS Common Chemistry |
| Name | Titanium fluoride (TiF3) | CAS Common Chemistry |
| Titanium(III) fluoride | CAS Common Chemistry | |
| Molecular Mass | 104.86099999999999 g/mol | RDKit |
| 104.94315596000001 g/mol | RDKit | |
| 104.861 g/mol | RDKit | |
| 109.901 g/mol | chempirical lib | |
| Heavy Atom Count | 4 | 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 | -8.990499999999999 | RDKit |
| -8.9905 | RDKit | |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 104.86 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 104.86 g/mol. Edit any field — others recompute live.
