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Molecule
Lanthanum Triflate
CAS: 52093-26-2 · CHF3LaO3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 52093-26-2
- Molecular Formula
- CHF3LaO3S
- Molecular Mass
- 288.98 g/mol
Identifiers
CAS Registry Number
52093-26-2
SMILES
O=S(=O)(O)C(F)(F)F.[La]
InChI Key
NAPHXISIYHAKAH-UHFFFAOYSA-N
InChI
InChI=1S/CHF3O3S.La/c2-1(3,4)8(5,6)7;/h(H,5,6,7);
Names and Synonyms
- Lanthanum Triflate Common Name
- Methanesulfonic acid, 1,1,1-trifluoro-, lanthanum(3+) salt (3:1) Synonym
- Lanthanum(III) triflate Synonym
- Lanthanum trifluoromethanesulfonate Synonym
- Lanthanum(3+) triflate Synonym
- Lanthanum tris(trifluoromethanesulfonate) Synonym
- Tris(trifluoromethanesulfonato)lanthanum Synonym
- Trifluoromethanesulfonic acid lanthanum(3+) salt Synonym
- Methanesulfonic acid, trifluoro-, lanthanum(3+) salt Synonym
- Lanthanum(3+) trifluoromethanesulfonate Synonym
- Lanthanum triflate Synonym
- Lanthanum(III) trifluoromethanesulfonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 288.98 g/mol | CAS Common Chemistry |
| 288.98299999999995 g/mol | RDKit | |
| 288.983 g/mol | RDKit | |
| 291.999 g/mol | chempirical lib | |
| Canonical SMILES | [La].O=S(=O)(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/CHF3O3S.La/c2-1(3,4)8(5,6)7;/h(H,5,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=NAPHXISIYHAKAH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lanthanum triflate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| 54.37 Ų | RDKit | |
| LogP | 0.3940000000000002 | RDKit |
| 0.394 | RDKit | |
| Molar Refractivity | 17.603600000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 288.866202852 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 288.98 g/mol. Edit any field — others recompute live.
