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Molecule
Ethyl Nonafluoroisobutyl Ether
CAS: 163702-06-5 · C6H5F9O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 163702-06-5
- Molecular Formula
- C6H5F9O
- Molecular Mass
- 264.09 g/mol
Identifiers
CAS Registry Number
163702-06-5
SMILES
CCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChI Key
SQEGLLMNIBLLNQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5F9O/c1-2-16-6(14,15)3(7,4(8,9)10)5(11,12)13/h2H2,1H3
Names and Synonyms
- Ethyl Nonafluoroisobutyl Ether Common Name
- Propane, 2-(ethoxydifluoromethyl)-1,1,1,2,3,3,3-heptafluoro- Synonym
- 2-(Ethoxydifluoromethyl)-1,1,1,2,3,3,3-heptafluoropropane Synonym
- i 7200 Synonym
- Ethyl nonafluoroisobutyl ether Synonym
- Ethyl perfluoroisobutyl ether Synonym
- Perfluoroisobutyl ethyl ether. Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.09 g/mol | CAS Common Chemistry |
| 264.087 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C(F)(C(F)(F)F)C(F)(F)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H5F9O/c1-2-16-6(14,15)3(7,4(8,9)10)5(11,12)13/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SQEGLLMNIBLLNQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl nonafluoroisobutyl ether | CAS Common Chemistry |
| Heavy Atom Count | 16 | 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 | 3.4486000000000008 | RDKit |
| 3.4486 | RDKit | |
| Molar Refractivity | 32.522 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 264.01966876000006 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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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.
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MW = 264.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H5F9O.
