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Molecule
Hexafluoroethane
CAS: 76-16-4 · C2F6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 76-16-4
- Molecular Formula
- C2F6
- Molecular Mass
- 138.01 g/mol
Identifiers
CAS Registry Number
76-16-4
SMILES
FC(F)(F)C(F)(F)F
InChI Key
WMIYKQLTONQJES-UHFFFAOYSA-N
InChI
InChI=1S/C2F6/c3-1(4,5)2(6,7)8
Names and Synonyms
- Hexafluoroethane Common Name
- Ethane, 1,1,1,2,2,2-hexafluoro- Synonym
- Ethane, hexafluoro- Synonym
- 1,1,1,2,2,2-Hexafluoroethane Synonym
- F 116 Synonym
- Freon 116 Synonym
- Hexafluoroethane Synonym
- Perfluoroethane Synonym
- R 116 Synonym
- Ethyl hexafluoride Synonym
- Perfluorocarbon 116 Synonym
- PFC 116 Synonym
- FC 1160 Synonym
- FC 116 Synonym
- F 116 (fluorocarbon) Synonym
- HFC 116 Synonym
- CFC 116 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Boiling Point | -78.1 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)F | CAS Common Chemistry |
| Molecular Mass | 138.01 g/mol | CAS Common Chemistry |
| 138.01000000000002 g/mol | RDKit | |
| Density | 1.85 g/cm³ | CAS Common Chemistry |
| 1.85 g/cm3 @ -192 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexafluoroethane | CAS Common Chemistry |
| InChI | InChI=1S/C2F6/c3-1(4,5)2(6,7)8 | CAS Common Chemistry |
| InChI Key | InChIKey=WMIYKQLTONQJES-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -100.7 °C | CAS Common Chemistry |
| Name | Hexafluoroethane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.1109999999999998 | RDKit |
| 2.111 | RDKit | |
| Molar Refractivity | 12.110000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 137.99041932 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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100
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 138.01 g/mol; density = 1.850 g/mL. Edit any field — others recompute live.
