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Molecule
Copper(Ii) Triflate
CAS: 34946-82-2 · CHCuF3O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 34946-82-2
- Molecular Formula
- CHCuF3O3S
- Molecular Mass
- 213.62 g/mol
Identifiers
CAS Registry Number
34946-82-2
SMILES
O=S(=O)(O)C(F)(F)F.[Cu]
InChI Key
GZWXEFRPSWBAGC-UHFFFAOYSA-N
InChI
InChI=1S/CHF3O3S.Cu/c2-1(3,4)8(5,6)7;/h(H,5,6,7);
Names and Synonyms
- Copper(Ii) Triflate Synonym
- Methanesulfonic acid, 1,1,1-trifluoro-, copper(2+) salt (2:1) Synonym
- Methanesulfonic acid, trifluoro-, copper(2+) salt Synonym
- Cupric trifluoromethanesulfonate Synonym
- Copper(II) triflate Synonym
- Cupric bis(trifluoromethanesulfonate) Synonym
- Cupric triflate Synonym
- Cupric trifluoromethylsulfonate Synonym
- Bis(trifluoromethanesulfonato)copper Synonym
- Copper ditriflate Synonym
- Copper bis(trifluoromethanesulfonate) Synonym
- Trifluoromethanesulfonic acid copper salt (2:1) Synonym
- Copper(II) trifluoromethanesulfonate Synonym
- Copper(2+) trifluoromethylsulfonate Synonym
- Copper(2+) bis(trifluoromethanesulfonate) Synonym
- Copper(2+) triflate Synonym
- Trifluoromethanesulfonic acid copper(2+) salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.62 g/mol | CAS Common Chemistry |
| 213.62299999999996 g/mol | RDKit | |
| 213.623 g/mol | RDKit | |
| 214.624 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Copper(II)_triflate | CAS Common Chemistry |
| Canonical SMILES | [Cu].O=S(=O)(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/CHF3O3S.Cu/c2-1(3,4)8(5,6)7;/h(H,5,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=GZWXEFRPSWBAGC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >400 °C | CAS Common Chemistry |
| Name | Copper(II) 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 | 0.3915000000000002 | RDKit |
| 0.3915 | RDKit | |
| Molar Refractivity | 17.603600000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 212.889447052 g/mol | RDKit |
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 |
|---|
200 ppm
180
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140
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40
20
0 ppm
| 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 = 213.62 g/mol. Edit any field — others recompute live.
