5-(Trifluoromethyl)isoxazole
TL;DR: 5-(Trifluoromethyl)isoxazole (CAS 116584-43-1) is a chemical compound with molecular formula C4H2F3NO and molecular weight 137.00885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(trifluoromethyl)-1,2-oxazole
Also Known As: 5-(Trifluoromethyl)isoxazole, 5-Trifluoromethyl-isoxazole, 5-(trifluoromethyl)-1,2-oxazole, 5-trifluoromethylisoxazole, Isoxazole,5-(trifluoromethyl)-
Technical Specifications
| Molecular Formula | C4H2F3NO |
| Molecular Weight | 137.00885 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.00885 Da |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
| SMILES | C1=C(ON=C1)C(F)(F)F |
| InChIKey | RRDBQTDHQONBBG-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Trifluoromethyl)isoxazole
Property Insights of 5-(Trifluoromethyl)isoxazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Trifluoromethyl)isoxazole. With a topological polar surface area (TPSA) of 26.0 Ų, 5-(Trifluoromethyl)isoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Trifluoromethyl)isoxazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(Trifluoromethyl)isoxazole?
The CAS number of 5-(Trifluoromethyl)isoxazole is 116584-43-1.
What is the molecular formula of 5-(Trifluoromethyl)isoxazole?
The molecular formula of 5-(Trifluoromethyl)isoxazole is C4H2F3NO.
What is the molecular weight of 5-(Trifluoromethyl)isoxazole?
The molecular weight of 5-(Trifluoromethyl)isoxazole is 137.00885 g/mol.
Where can I buy 5-(Trifluoromethyl)isoxazole?
You can request a quote for 5-(Trifluoromethyl)isoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Trifluoromethyl)isoxazole?
Yes, CoreyChem provides custom synthesis services for 5-(Trifluoromethyl)isoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.