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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 Weight:
104.86099999999999 g/mol
Names and Synonyms:
Titanium(Iii) Fluoride
Titanium fluoride (TiF3)
Titanium trifluoride
Identifiers:
SMILES:
[F-].[F-].[F-].[Ti+3]
InChI:
InChI=1S/3FH.Ti/h3*1H;/q;;;+3/p-3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 104.86099999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 104.94315596000001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -8.990499999999999 | RDKit |
| molecular_mass | 104.86 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Titanium(III)_fluoride None | Legacy Database |
| cas-canonical-smile | F[Ti](F)F None | Legacy Database |
| cas-inchi | InChI=1S/3FH.Ti/h3*1H;/q;;;+3/p-3 None | Legacy Database |
| cas-inchi-key | InChIKey=NLPMQGKZYAYAFE-UHFFFAOYSA-K None | Legacy Database |
| cas-melting-point | 300 °C (decomp) None | Legacy Database |
| cas-name | Titanium fluoride (TiF3) None | Legacy Database |
| wikipedia-name | Titanium(III) fluoride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 0.0 | RDKit |
