Back to Search
1,1,2,2-Tetrafluoro-3-(1,1,2,2-Tetrafluoroethoxy)Propane
CAS: 16627-68-2 | C5H4F8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16627-68-2
Molecular Formula:
C5H4F8O
Molecular Mass:
232.07 g/mol
Names and Synonyms:
1,1,2,2-Tetrafluoro-3-(1,1,2,2-Tetrafluoroethoxy)Propane
Propane, 1,1,2,2-tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)-
Ether, 1,1,2,2-tetrafluoroethyl 2,2,3,3-tetrafluoropropyl
1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane
HFE 458
2,2,3,3-Tetrafluoro-1-(1,1,2,2-tetrafluoroethoxy)propane
1,1,2,2-Tetrafluoroethyl 2,2,3,3-tetrafluoropropyl ether
HFE 458pcf-c
HFE 458pc-fc
Identifiers:
SMILES:
FC(F)C(F)(F)COC(F)(F)C(F)F
InChI:
InChI=1S/C5H4F8O/c6-2(7)4(10,11)1-14-5(12,13)3(8)9/h2-3H,1H2
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 | 232.07 g/mol | CAS Common Chemistry |
| 232.06999999999996 g/mol | RDKit | |
| 232.013440508 g/mol | RDKit | |
| Canonical SMILES | FC(F)C(F)(F)OCC(F)(F)C(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C5H4F8O/c6-2(7)4(10,11)1-14-5(12,13)3(8)9/h2-3H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HCBRSIIGBBDDCD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.7613000000000003 | RDKit |
| Molar Refractivity | 27.854 | RDKit |
