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1,1,1,2,2,3,3-Heptafluoro-3-(1,2,2,2-Tetrafluoroethoxy)Propane
CAS: 3330-15-2 | C5HF11O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3330-15-2
Molecular Formula:
C5HF11O
Molecular Mass:
286.04 g/mol
Names and Synonyms:
1,1,1,2,2,3,3-Heptafluoro-3-(1,2,2,2-Tetrafluoroethoxy)Propane
Freon E 1
Propane, 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)-
Ether, heptafluoropropyl 1,2,2,2-tetrafluoroethyl
1,1,1,2,2,3,3-Heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane
1,2,2,2-Tetrafluoroethyl heptafluoropropyl ether
Du Pont E 1
Heptafluoropropyl 1,2,2,2-tetrafluoroethyl ether
Identifiers:
SMILES:
FC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChI:
InChI=1S/C5HF11O/c6-1(2(7,8)9)17-5(15,16)3(10,11)4(12,13)14/h1H
Key Properties
Boiling Point
41 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 286.04 g/mol | CAS Common Chemistry |
| 286.03999999999996 g/mol | RDKit | |
| 285.98517507200006 g/mol | RDKit | |
| Boiling Point | 41 °C | CAS Common Chemistry |
| Canonical SMILES | FC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C5HF11O/c6-1(2(7,8)9)17-5(15,16)3(10,11)4(12,13)14/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=CUTPKDUMZWIJKT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,1,2,2,3,3-Heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 3.6513 | RDKit |
| Molar Refractivity | 27.985 | RDKit |
