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Molecule
2-[(2,2,3,3-Tetrafluoropropoxy)Methyl]Oxirane
CAS: 19932-26-4 · C6H8F4O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19932-26-4
- Molecular Formula
- C6H8F4O2
- Molecular Mass
- 188.12 g/mol
Identifiers
CAS Registry Number
19932-26-4
SMILES
FC(F)C(F)(F)COCC1CO1
InChI Key
DATKALAKXGFGPI-UHFFFAOYSA-N
InChI
InChI=1S/C6H8F4O2/c7-5(8)6(9,10)3-11-1-4-2-12-4/h4-5H,1-3H2
Names and Synonyms
- 2-[(2,2,3,3-Tetrafluoropropoxy)Methyl]Oxirane Systematic Name
- Oxirane, 2-[(2,2,3,3-tetrafluoropropoxy)methyl]- Synonym
- Propane, 1,2-epoxy-3-(2,2,3,3-tetrafluoropropoxy)- Synonym
- Oxirane, [(2,2,3,3-tetrafluoropropoxy)methyl]- Synonym
- 2-[(2,2,3,3-Tetrafluoropropoxy)methyl]oxirane Synonym
- 1,2-Epoxy-3-(2,2,3,3-tetrafluoropropoxy)propane Synonym
- Glycidyl 2,2,3,3-tetrafluoropropyl ether Synonym
- E 5244 Synonym
- 2-(4,4,5,5-Tetrafluoro-2-oxapentyl)oxirane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.12 g/mol | CAS Common Chemistry |
| 188.11999999999998 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 |
| 21.76 Ų | RDKit | |
| LogP | 1.3021999999999998 | RDKit |
| 1.3022 | RDKit | |
| Molar Refractivity | 31.50999999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 188.046042376 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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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 = 188.12 g/mol. Edit any field — others recompute live.
