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1-(1,1,2,2-Tetrafluoroethoxy)Butane
CAS: 358-37-2 | C6H10F4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
358-37-2
Molecular Formula:
C6H10F4O
Molecular Mass:
174.14 g/mol
Names and Synonyms:
1-(1,1,2,2-Tetrafluoroethoxy)Butane
Butane, 1-(1,1,2,2-tetrafluoroethoxy)-
Ether, butyl 1,1,2,2-tetrafluoroethyl
1-(1,1,2,2-Tetrafluoroethoxy)butane
Identifiers:
SMILES:
CCCCOC(F)(F)C(F)F
InChI:
InChI=1S/C6H10F4O/c1-2-3-4-11-6(9,10)5(7)8/h5H,2-4H2,1H3
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 | 174.14 g/mol | CAS Common Chemistry |
| 174.137 g/mol | RDKit | |
| 174.06677782 g/mol | RDKit | |
| Canonical SMILES | FC(F)C(F)(F)OCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H10F4O/c1-2-3-4-11-6(9,10)5(7)8/h5H,2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CIVGBESMFDRXNF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(1,1,2,2-Tetrafluoroethoxy)butane | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 2.6610000000000014 | RDKit |
| Molar Refractivity | 31.810999999999986 | RDKit |
