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Molecule
1,1,2,2-Tetrafluoro-3-(1,1,2,2-Tetrafluoroethoxy)Propane
CAS: 16627-68-2 · C5H4F8O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16627-68-2
- Molecular Formula
- C5H4F8O
- Molecular Mass
- 232.07 g/mol
Identifiers
CAS Registry Number
16627-68-2
SMILES
FC(F)C(F)(F)COC(F)(F)C(F)F
InChI Key
HCBRSIIGBBDDCD-UHFFFAOYSA-N
InChI
InChI=1S/C5H4F8O/c6-2(7)4(10,11)1-14-5(12,13)3(8)9/h2-3H,1H2
Names and Synonyms
- 1,1,2,2-Tetrafluoro-3-(1,1,2,2-Tetrafluoroethoxy)Propane Systematic Name
- Propane, 1,1,2,2-tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)- Synonym
- Ether, 1,1,2,2-tetrafluoroethyl 2,2,3,3-tetrafluoropropyl Synonym
- 1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane Synonym
- HFE 458 Synonym
- 2,2,3,3-Tetrafluoro-1-(1,1,2,2-tetrafluoroethoxy)propane Synonym
- 1,1,2,2-Tetrafluoroethyl 2,2,3,3-tetrafluoropropyl ether Synonym
- HFE 458pcf-c Synonym
- HFE 458pc-fc Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 232.07 g/mol | CAS Common Chemistry |
| 232.06999999999996 g/mol | RDKit | |
| Canonical SMILES | FC(F)C(F)(F)OCC(F)(F)C(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C5H4F8O/c6-2(7)4(10,11)1-14-5(12,13)3(8)9/h2-3H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HCBRSIIGBBDDCD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.7613000000000003 | RDKit |
| 2.7613 | RDKit | |
| Molar Refractivity | 27.854 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 232.013440508 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
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MW = 232.07 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H4F8O.
