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Hexafluoroethane
CAS: 76-16-4 | C2F6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
76-16-4
Molecular Formula:
C2F6
Molecular Weight:
138.01000000000002 g/mol
Names and Synonyms:
Hexafluoroethane
Perfluoroethane
Hexafluoroethane
Freon 116
F 116
1,1,1,2,2,2-Hexafluoroethane
Ethane, hexafluoro-
Ethane, 1,1,1,2,2,2-hexafluoro-
CFC 116
HFC 116
F 116 (fluorocarbon)
FC 116
FC 1160
PFC 116
Perfluorocarbon 116
Ethyl hexafluoride
R 116
Identifiers:
SMILES:
FC(F)(F)C(F)(F)F
InChI:
InChI=1S/C2F6/c3-1(4,5)2(6,7)8
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 138.01 g/mol | Legacy Database |
| density | 1.85 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Hexafluoroethane None | Legacy Database |
| cas-boiling-point | -78.1 °C None | Legacy Database |
| cas-canonical-smile | FC(F)(F)C(F)(F)F None | Legacy Database |
| cas-density | 1.85 g/cm3 @ Temp: -192 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2F6/c3-1(4,5)2(6,7)8 None | Legacy Database |
| cas-inchi-key | InChIKey=WMIYKQLTONQJES-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -100.7 °C None | Legacy Database |
| cas-name | Hexafluoroethane None | Legacy Database |
| wikipedia-name | Hexafluoroethane None | Legacy Database |
| LogP | 2.1109999999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.01000000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 137.99041932 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.110000000000001 | RDKit |
