Back to Search
3,3,4,4,5,5-Hexafluorodihydro-2H-Pyran-2,6(3H)-Dione
CAS: 376-68-1 | C5F6O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
376-68-1
Molecular Formula:
C5F6O3
Molecular Mass:
222.04 g/mol
Names and Synonyms:
3,3,4,4,5,5-Hexafluorodihydro-2H-Pyran-2,6(3H)-Dione
2H-Pyran-2,6(3H)-dione, 3,3,4,4,5,5-hexafluorodihydro-
Glutaric anhydride, hexafluoro-
3,3,4,4,5,5-Hexafluorodihydro-2H-pyran-2,6(3H)-dione
Perfluoroglutaric anhydride
Hexafluoroglutaric anhydride
3,3,4,4,5,5-Hexafluorooxane-2,6-dione
2,2,3,3,4,4-Hexafluoropentanedioic anhydride
Identifiers:
SMILES:
O=C1OC(=O)C(F)(F)C(F)(F)C1(F)F
InChI:
InChI=1S/C5F6O3/c6-3(7)1(12)14-2(13)4(8,9)5(3,10)11
Key Properties
Boiling Point
72 °C
CAS Common Chemistry
Density
1.72 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 | 222.04 g/mol | CAS Common Chemistry |
| 222.03999999999996 g/mol | RDKit | |
| 221.97516317999998 g/mol | RDKit | |
| Density | 1.72 g/cm³ | CAS Common Chemistry |
| 1.7231 g/cm3 @ Temp: 40 °C | CAS Common Chemistry | |
| Boiling Point | 72 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(=O)C(F)(F)C(F)(F)C1(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C5F6O3/c6-3(7)1(12)14-2(13)4(8,9)5(3,10)11 | CAS Common Chemistry |
| InChI Key | InChIKey=IHYAGCYJVNHXCT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,3,4,4,5,5-Hexafluorodihydro-2H-pyran-2,6(3H)-dione | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 0.9756999999999999 | RDKit |
| Molar Refractivity | 25.940000000000005 | RDKit |
