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Molecule
1,1,2,3,3,3-Hexafluoropropyl Methyl Ether
CAS: 382-34-3 · C4H4F6O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 382-34-3
- Molecular Formula
- C4H4F6O
- Molecular Mass
- 182.06 g/mol
Identifiers
CAS Registry Number
382-34-3
SMILES
COC(F)(F)C(F)C(F)(F)F
InChI Key
PKMXTDVNDDDCSY-UHFFFAOYSA-N
InChI
InChI=1S/C4H4F6O/c1-11-4(9,10)2(5)3(6,7)8/h2H,1H3
Names and Synonyms
- 1,1,2,3,3,3-Hexafluoropropyl Methyl Ether Synonym
- Propane, 1,1,1,2,3,3-hexafluoro-3-methoxy- Synonym
- Ether, 1,1,2,3,3,3-hexafluoropropyl methyl Synonym
- 1,1,1,2,3,3-Hexafluoro-3-methoxypropane Synonym
- 1,1,2,3,3,3-Hexafluoropropyl methyl ether Synonym
- HFC-E 356 Synonym
- 356mecEγδ Synonym
- HFE 356mec 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 | 1.43 g/cm³ | CAS Common Chemistry |
| 1.429 g/cm3 @ 10 °C | CAS Common Chemistry | |
| Boiling Point | 54-55 °C | CAS Common Chemistry |
| Canonical SMILES | FC(C(F)(F)F)C(F)(F)OC | CAS Common Chemistry |
| InChI | InChI=1S/C4H4F6O/c1-11-4(9,10)2(5)3(6,7)8/h2H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PKMXTDVNDDDCSY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,2,3,3,3-Hexafluoropropyl methyl ether | 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 | 2.1260000000000003 | RDKit |
| 2.126 | RDKit | |
| Molar Refractivity | 22.906999999999996 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
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.
External Resources
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MW = 182.06 g/mol; density = 1.430 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H4F6O.
