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Fluorotitanic Acid
CAS: 17439-11-1 | H2F6Ti
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17439-11-1
Molecular Formula:
H2F6Ti
Molecular Mass:
163.87 g/mol
Names and Synonyms:
Fluorotitanic Acid
Titanate(2-), hexafluoro-, hydrogen (1:2), (OC-6-11)-
Titanate(2-), hexafluoro-, dihydrogen
Titanate(2-), hexafluoro-, dihydrogen, (OC-6-11)-
Hydrogen hexafluorotitanate(IV)
Fluotitanic(IV) acid (H2TiF6)
Hexafluorotitanic acid
Dihydrogen hexafluorotitanate(2-)
Fluorotitanic acid (H2TiF6)
Hydrogen titanium fluoride (H2TiF6)
Fluorotitanic acid
Hexafluorotitanic acid (H2TiF6)
CT 3753
Identifiers:
SMILES:
F.F.[F-].[F-].[F-].[F-].[Ti+4]
InChI:
InChI=1S/6FH.Ti/h6*1H;/q;;;;;;+4/p-4
Key Properties
Density
1.68 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.87 g/mol | CAS Common Chemistry |
| 163.871 g/mol | RDKit | |
| 163.954015684 g/mol | RDKit | |
| Density | 1.68 g/cm³ | CAS Common Chemistry |
| 1.675 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [H+].[F-][Ti+4]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/6FH.Ti/h6*1H;/q;;;;;;+4/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=PFSXARRIPPWGNC-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Fluorotitanic acid | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | -11.6815 | RDKit |
| Molar Refractivity | 5.006 | RDKit |
