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Molecule
1,1,1,2,2,3,3-Heptafluoro-3-(1,2,2,2-Tetrafluoroethoxy)Propane
CAS: 3330-15-2 · C5HF11O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3330-15-2
- Molecular Formula
- C5HF11O
- Molecular Mass
- 286.04 g/mol
Identifiers
CAS Registry Number
3330-15-2
SMILES
FC(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChI Key
CUTPKDUMZWIJKT-UHFFFAOYSA-N
InChI
InChI=1S/C5HF11O/c6-1(2(7,8)9)17-5(15,16)3(10,11)4(12,13)14/h1H
Names and Synonyms
- 1,1,1,2,2,3,3-Heptafluoro-3-(1,2,2,2-Tetrafluoroethoxy)Propane Systematic Name
- Freon E 1 Synonym
- Propane, 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)- Synonym
- Ether, heptafluoropropyl 1,2,2,2-tetrafluoroethyl Synonym
- 1,1,1,2,2,3,3-Heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane Synonym
- 1,2,2,2-Tetrafluoroethyl heptafluoropropyl ether Synonym
- Du Pont E 1 Synonym
- Heptafluoropropyl 1,2,2,2-tetrafluoroethyl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 286.04 g/mol | CAS Common Chemistry |
| 286.03999999999996 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 285.98517507200006 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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20
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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 = 286.04 g/mol. Edit any field — others recompute live.
