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Molecule
(Sp-4-1)-Bis(1,1,1,5,5,5-Hexafluoro-2,4-Pentanedionato-Κo2,Κo4)Copper
CAS: 14781-45-4 · C10H2CuF12O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14781-45-4
- Molecular Formula
- C10H2CuF12O4
- Molecular Mass
- 477.64 g/mol
Identifiers
CAS Registry Number
14781-45-4
SMILES
O=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.O=C([CH-]C(=O)C(F)(F)F)C(F)(F)F.[Cu+2]
InChI Key
NPOQJGKWJAKNAV-UHFFFAOYSA-N
InChI
InChI=1S/2C5HF6O2.Cu/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1H;/q2*-1;+2
Names and Synonyms
- (Sp-4-1)-Bis(1,1,1,5,5,5-Hexafluoro-2,4-Pentanedionato-Κo2,Κo4)Copper Systematic Name
- Copper, bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κO2,κO4)-, (SP-4-1)- Synonym
- Copper, bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)- Synonym
- Copper, bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-O,O′)-, (SP-4-1)- Synonym
- 2,4-Pentanedione, 1,1,1,5,5,5-hexafluoro-, copper deriv. Synonym
- Copper, bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κO,κO′)-, (SP-4-1)- Synonym
- (SP-4-1)-Bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κO2,κO4)copper Synonym
- Bis(hexafluoroacetylacetonato)copper(II) Synonym
- Copper(II) hexafluoroacetylacetonate Synonym
- Bis(hexafluoroacetylacetonato)copper Synonym
- Bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)copper (II) Synonym
- Bis(hexafluoroacetoacetonato)copper(II) Synonym
- Bis(hexafluroroacetylacetonato)copper Synonym
- Bis(1,1,1,5,5,5-hexafluoroacetylacetonato)copper(II) Synonym
- Copper(II) bis(hexafluoroacetylacetonate) Synonym
- Bis(hexafluoroacetylacetonate)copper(II) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 477.64 g/mol | CAS Common Chemistry |
| 477.644 g/mol | RDKit | |
| 480.668 g/mol | chempirical lib | |
| Density | 0.59 g/cm³ | CAS Common Chemistry |
| 0.593 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | FC(F)(F)C1=O[Cu+2]2(O=C([CH-]1)C(F)(F)F)O=C([CH-]C(=O2)C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/2C5HF6O2.Cu/c2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h2*1H;/q2*-1;+2 | CAS Common Chemistry |
| InChI Key | InChIKey=NPOQJGKWJAKNAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95-98 °C | CAS Common Chemistry |
| Name | (SP-4-1)-Bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-κO2,κO4)copper | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 68.28 Ų | RDKit |
| LogP | 2.9044800000000004 | RDKit |
| 2.9045 | RDKit | |
| Molar Refractivity | 52.84799999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 476.90574468399996 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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140
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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.
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MW = 477.64 g/mol; density = 0.590 g/mL. Edit any field — others recompute live.
