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Titanium Tetrafluoride
CAS: 7783-63-3 | F4Ti
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7783-63-3
Molecular Formula:
F4Ti
Molecular Weight:
123.85900000000001 g/mol
Names and Synonyms:
Titanium Tetrafluoride
Titanium(4+) fluoride
Titanium(IV) fluoride
Titanium tetrafluoride
Titanium fluoride (TiF4)
Titanium fluoride (TiF4), (T-4)-
Identifiers:
SMILES:
[F-].[F-].[F-].[F-].[Ti+4]
InChI:
InChI=1S/4FH.Ti/h4*1H;/q;;;;+4/p-4
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 123.85900000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 123.94155918000001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 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 | -11.9865 | RDKit |
| molecular_mass | 123.86 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Titanium_tetrafluoride None | Legacy Database |
| cas-canonical-smile | F[Ti](F)(F)F None | Legacy Database |
| cas-inchi | InChI=1S/4FH.Ti/h4*1H;/q;;;;+4/p-4 None | Legacy Database |
| cas-inchi-key | InChIKey=XROWMBWRMNHXMF-UHFFFAOYSA-J None | Legacy Database |
| cas-name | Titanium tetrafluoride None | Legacy Database |
| wikipedia-name | Titanium tetrafluoride None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 0.0 | RDKit |
