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Molecule
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
Identifiers
CAS Registry Number
333-36-8
SMILES
FC(F)(F)COCC(F)(F)F
InChI Key
KGPPDNUWZNWPSI-UHFFFAOYSA-N
InChI
InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2
Names and Synonyms
- 1,1′-Oxybis[2,2,2-Trifluoroethane] Systematic Name
- Ethane, 1,1′-oxybis[2,2,2-trifluoro- Synonym
- Ether, bis(2,2,2-trifluoroethyl) Synonym
- 1,1′-Oxybis[2,2,2-trifluoroethane] Synonym
- SKF 6539 Synonym
- Bis(2,2,2-trifluoroethyl) ether Synonym
- Fluorothyl Synonym
- Fluroethyl Synonym
- Flurothyl Synonym
- Indoklon Synonym
- 2-(2,2,2-Trifluoroethoxy)-1,1,1-trifluoroethane Synonym
- Hexafluorodiethyl ether Synonym
- Flurotyl Synonym
- HFE 356mff2 Synonym
- Idoklon Synonym
- Indiklon Synonym
- 1,1,1-Trifluoro-2-(2,2,2-trifluoroethoxy)ethane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.06 g/mol | CAS Common Chemistry |
| 182.063 g/mol | RDKit | |
| Density | 1.42 g/cm³ | CAS Common Chemistry |
| 1.4171 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 182.016634068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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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MW = 182.06 g/mol; density = 1.420 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H4F6O.
