Back to Search
1,1′-Oxybis[2,2,2-Trifluoroethane]
CAS: 333-36-8 | C4H4F6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
333-36-8
Molecular Formula:
C4H4F6O
Molecular Mass:
182.06 g/mol
Names and Synonyms:
1,1′-Oxybis[2,2,2-Trifluoroethane]
Ethane, 1,1′-oxybis[2,2,2-trifluoro-
Ether, bis(2,2,2-trifluoroethyl)
1,1′-Oxybis[2,2,2-trifluoroethane]
SKF 6539
Bis(2,2,2-trifluoroethyl) ether
Fluorothyl
Fluroethyl
Flurothyl
Indoklon
2-(2,2,2-Trifluoroethoxy)-1,1,1-trifluoroethane
Hexafluorodiethyl ether
Flurotyl
HFE 356mff2
Idoklon
Indiklon
1,1,1-Trifluoro-2-(2,2,2-trifluoroethoxy)ethane
Identifiers:
SMILES:
FC(F)(F)COCC(F)(F)F
InChI:
InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2
Key Properties
Boiling Point
63.9 °C
CAS Common Chemistry
Melting Point
<25 °C
CAS Common Chemistry
Density
1.42 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 | 182.06 g/mol | CAS Common Chemistry |
| 182.063 g/mol | RDKit | |
| 182.016634068 g/mol | RDKit | |
| Density | 1.42 g/cm³ | CAS Common Chemistry |
| 1.4171 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 63.9 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)COCC(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KGPPDNUWZNWPSI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Name | 1,1′-Oxybis[2,2,2-trifluoroethane] | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.1276 | RDKit |
| Molar Refractivity | 22.928999999999995 | RDKit |
