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Molecule
Fluorotitanic Acid
CAS: 17439-11-1 · H2F6Ti
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17439-11-1
- Molecular Formula
- H2F6Ti
- Molecular Mass
- 163.871 g/mol
Identifiers
CAS Registry Number
17439-11-1
SMILES
F.F.[F-].[F-].[F-].[F-].[Ti+4]
InChI Key
PFSXARRIPPWGNC-UHFFFAOYSA-J
InChI
InChI=1S/6FH.Ti/h6*1H;/q;;;;;;+4/p-4
Names and Synonyms
- Fluorotitanic Acid Synonym
- Titanate(2-), hexafluoro-, hydrogen (1:2), (OC-6-11)- Synonym
- Titanate(2-), hexafluoro-, dihydrogen Synonym
- Titanate(2-), hexafluoro-, dihydrogen, (OC-6-11)- Synonym
- Hydrogen hexafluorotitanate(IV) Synonym
- Fluotitanic(IV) acid (H2TiF6) Synonym
- Hexafluorotitanic acid Synonym
- Dihydrogen hexafluorotitanate(2-) Synonym
- Fluorotitanic acid (H2TiF6) Synonym
- Hydrogen titanium fluoride (H2TiF6) Synonym
- Fluorotitanic acid Synonym
- Hexafluorotitanic acid (H2TiF6) Synonym
- CT 3753 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| Molecular Mass | 163.871 g/mol | RDKit |
| 163.954015684 g/mol | RDKit | |
| 169.919 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 163.87 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| 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.
External Resources
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MW = 163.87 g/mol; density = 1.680 g/mL. Edit any field — others recompute live.
