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2-[(2,2,3,3-Tetrafluoropropoxy)Methyl]Oxirane
CAS: 19932-26-4 | C6H8F4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19932-26-4
Molecular Formula:
C6H8F4O2
Molecular Mass:
188.12 g/mol
Names and Synonyms:
2-[(2,2,3,3-Tetrafluoropropoxy)Methyl]Oxirane
Oxirane, 2-[(2,2,3,3-tetrafluoropropoxy)methyl]-
Propane, 1,2-epoxy-3-(2,2,3,3-tetrafluoropropoxy)-
Oxirane, [(2,2,3,3-tetrafluoropropoxy)methyl]-
2-[(2,2,3,3-Tetrafluoropropoxy)methyl]oxirane
1,2-Epoxy-3-(2,2,3,3-tetrafluoropropoxy)propane
Glycidyl 2,2,3,3-tetrafluoropropyl ether
E 5244
2-(4,4,5,5-Tetrafluoro-2-oxapentyl)oxirane
Identifiers:
SMILES:
FC(F)C(F)(F)COCC1CO1
InChI:
InChI=1S/C6H8F4O2/c7-5(8)6(9,10)3-11-1-4-2-12-4/h4-5H,1-3H2
Key Properties
Boiling Point
110-111 °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 | 188.12 g/mol | CAS Common Chemistry |
| 188.11999999999998 g/mol | RDKit | |
| 188.046042376 g/mol | RDKit | |
| Boiling Point | 110-111 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)C(F)(F)COCC1OC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H8F4O2/c7-5(8)6(9,10)3-11-1-4-2-12-4/h4-5H,1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DATKALAKXGFGPI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[(2,2,3,3-Tetrafluoropropoxy)methyl]oxirane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.759999999999998 Ų | RDKit |
| LogP | 1.3021999999999998 | RDKit |
| Molar Refractivity | 31.50999999999999 | RDKit |
