Roflurane
| Roflurane | |
|---|---|
| Molecular structure via molpic based on CDK |
| Rotamer [] | |
|---|---|
| Conformer structure via 3Dmol.js |
| Physical properties [] | |
|---|---|
| Molecular mass | 192.96 g/mol [1] |
| Predicted LogP | 2.1 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C3H4BrF3O [1] |
| IUPAC name | 2-bromo-1,1,2-trifluoro-1-methoxyethane [1] |
| SMILES | COC(C(F)Br)(F)F [1] |
| InChI | InChI=1S/C3H4BrF3O/c1-8-3(6,7)2(4)5/h2H,1H3 [1] |
| InChIKey | YOQYDUAUSFAUER-UHFFFAOYSA-N [1] |
Roflurane (also known as 2-Bromo-1,1,2-Trifluoro-1-methoxyethane, Rofluran, Roflurano, DA 893; Roflur, Ethane, 2-bromo-1,1,2-trifluoro-1-methoxy-, DA 893, DA-893, 2-Bromo-1,1,2-trifluoroethyl methyl ether, 2-Bromo-1,1,2-trifluoro-ethyl methyl ether or Rofluranum) is a
Chemistry
Stereochemistry []
Roflurane is a racemic mixture of the enantiomers.
| Stereoisomerism |
|---|
| Stereoisomer enumberation with rdkit |
See also []
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 12676, Roflurane. Accessed August 24, 2026. https://pubchem.ncbi.nlm.nih.gov/compound/12676
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Roflurane. UNII: QP8Q61T44L. Global Substance Registration System. Accessed August 24, 2026. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QP8Q61T44L