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Molecule
Titanium Tetrafluoride
CAS: 7783-63-3 · F4Ti
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7783-63-3
- Molecular Formula
- F4Ti
- Molecular Mass
- 123.86 g/mol
Identifiers
CAS Registry Number
7783-63-3
SMILES
[F-].[F-].[F-].[F-].[Ti+4]
InChI Key
XROWMBWRMNHXMF-UHFFFAOYSA-J
InChI
InChI=1S/4FH.Ti/h4*1H;/q;;;;+4/p-4
Names and Synonyms
- Titanium Tetrafluoride Common Name
- Titanium fluoride (TiF4), (T-4)- Synonym
- Titanium fluoride (TiF4) Synonym
- Titanium tetrafluoride Synonym
- Titanium(IV) fluoride Synonym
- Titanium(4+) fluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 123.86 g/mol | CAS Common Chemistry |
| 123.85900000000001 g/mol | RDKit | |
| 123.94155918000001 g/mol | RDKit | |
| 129.907 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Titanium_tetrafluoride | CAS Common Chemistry |
| Canonical SMILES | F[Ti](F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/4FH.Ti/h4*1H;/q;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=XROWMBWRMNHXMF-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Titanium tetrafluoride | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | -11.9865 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 123.859 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 123.86 g/mol. Edit any field — others recompute live.
