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Ethyl Perfluorobutyl Ether
CAS: 163702-05-4 | C6H5F9O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
163702-05-4
Molecular Formula:
C6H5F9O
Molecular Weight:
264.087 g/mol
Names and Synonyms:
Ethyl Perfluorobutyl Ether
Novec 7200
HFE 569sf2
(Perfluorobutoxy)ethane
1-Ethoxynonafluorobutane
Nonafluorobutyl ethyl ether
Butane, 1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluoro-
CF 76
Ethyl perfluorobutyl ether
HFE 7200
1-Ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
Cosmetic Fluid CF 76
Novec HFE 7200
HFE 569mccc
Ethyl nonafluorobutyl ether
Identifiers:
SMILES:
CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI:
InChI=1S/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 264.09 g/mol | Legacy Database |
| density | 1.43 g/cm³ | Legacy Database | |
| cas-boiling-point | 76 °C | Legacy Database | |
| cas-canonical-smile | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)OCC | Legacy Database | |
| cas-density | 1.43 g/cm3 @ Temp: 25 °C | Legacy Database | |
| cas-inchi | InChI=1S/C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13/h2H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=DFUYAWQUODQGFF-UHFFFAOYSA-N | Legacy Database | |
| cas-name | Ethyl perfluorobutyl ether | Legacy Database | |
| LogP | 3.4486000000000008 | RDKit | |
| Molecular | Molecular Weight | 264.087 g/mol | RDKit |
| Exact | Exact Molecular Weight | 264.01966876000006 g/mol | RDKit |
| Heavy | Heavy Atom Count | 16 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 4 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 9.23 Ų | RDKit |
| Molar | Molar Refractivity | 32.522 | RDKit |
