Roflurane
TL;DR: Roflurane (CAS 679-90-3) is a chemical compound with molecular formula C3H4BrF3O and molecular weight 191.93976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-1,1,2-trifluoro-1-methoxyethane
Also Known As: ROFLURANE, Roflurano, Rofluran, Rofluranum, 2-bromo-1H-indole
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H4BrF3O |
| Molecular Weight | 191.93976 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.93976 Da |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
| SMILES | COC(C(F)Br)(F)F |
| InChIKey | YOQYDUAUSFAUER-UHFFFAOYSA-N |
Product Description
Applications: Roflurane is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Roflurane (CAS 679-90-3) has the molecular formula C3H4BrF3O and a molecular weight of 191.94 g/mol. Synonyms include ROFLURANE and Roflurano.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Roflurane
Property Insights of Roflurane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Roflurane. With a topological polar surface area (TPSA) of 9.2 Ų, Roflurane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Roflurane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Roflurane?
The CAS number of Roflurane is 679-90-3.
What is the molecular formula of Roflurane?
The molecular formula of Roflurane is C3H4BrF3O.
What is the molecular weight of Roflurane?
The molecular weight of Roflurane is 191.93976 g/mol.
What are the applications of Roflurane?
Roflurane is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Roflurane?
You can request a quote for Roflurane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Roflurane?
Yes, CoreyChem provides custom synthesis services for Roflurane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.