4-Bromo-1,1,2-trifluorobut-1-ene
TL;DR: 4-Bromo-1,1,2-trifluorobut-1-ene (CAS 10493-44-4) is a chemical compound with molecular formula C4H4BrF3 and molecular weight 187.94485 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-1,1,2-trifluorobut-1-ene
Also Known As: 4-Bromo-1,1,2-trifluoro-1-butene, 4-Bromo-1,1,2-trifluorobut-1-ene, 4-Bromo-1,1,2-trifluorobutene-1, timtec-bb sbb006604, 1-Butene, 4-bromo-1,1,2-trifluoro-
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H4BrF3 |
| Molecular Weight | 187.94485 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.94485 Da |
| Heavy Atoms | 8 |
| Complexity | 95.0 |
| SMILES | C(CBr)C(=C(F)F)F |
| InChIKey | GQCQMFYIFUDARF-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-1,1,2-trifluorobut-1-ene
Property Insights of 4-Bromo-1,1,2-trifluorobut-1-ene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1,1,2-trifluorobut-1-ene. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Bromo-1,1,2-trifluorobut-1-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1,1,2-trifluorobut-1-ene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Bromo-1,1,2-trifluorobut-1-ene?
The CAS number of 4-Bromo-1,1,2-trifluorobut-1-ene is 10493-44-4.
What is the molecular formula of 4-Bromo-1,1,2-trifluorobut-1-ene?
The molecular formula of 4-Bromo-1,1,2-trifluorobut-1-ene is C4H4BrF3.
What is the molecular weight of 4-Bromo-1,1,2-trifluorobut-1-ene?
The molecular weight of 4-Bromo-1,1,2-trifluorobut-1-ene is 187.94485 g/mol.
Where can I buy 4-Bromo-1,1,2-trifluorobut-1-ene?
You can request a quote for 4-Bromo-1,1,2-trifluorobut-1-ene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-1,1,2-trifluorobut-1-ene?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-1,1,2-trifluorobut-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.