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Molecule
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
Identifiers
CAS Registry Number
358-37-2
SMILES
CCCCOC(F)(F)C(F)F
InChI Key
CIVGBESMFDRXNF-UHFFFAOYSA-N
InChI
InChI=1S/C6H10F4O/c1-2-3-4-11-6(9,10)5(7)8/h5H,2-4H2,1H3
Names and Synonyms
- 1-(1,1,2,2-Tetrafluoroethoxy)Butane Systematic Name
- Butane, 1-(1,1,2,2-tetrafluoroethoxy)- Synonym
- Ether, butyl 1,1,2,2-tetrafluoroethyl Synonym
- 1-(1,1,2,2-Tetrafluoroethoxy)butane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 174.14 g/mol | CAS Common Chemistry |
| 174.137 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 |
| 2.661 | RDKit | |
| Molar Refractivity | 31.810999999999986 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 174.06677782 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 174.14 g/mol. Edit any field — others recompute live.
