Trifluoromethyluracil
TL;DR: Trifluoromethyluracil (CAS 54-20-6) is a chemical compound with molecular formula C5H3F3N2O2 and molecular weight 180.01466 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
Also Known As: 5-(Trifluoromethyl)uracil, Trifluorothymine, 5-Trifluoromethyluracil, Trifluoromethyluracil, Trifluoridine
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H3F3N2O2 |
| Molecular Weight | 180.01466 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.01466 Da |
| Heavy Atoms | 12 |
| Complexity | 268.0 |
| SMILES | C1=C(C(=O)NC(=O)N1)C(F)(F)F |
| InChIKey | LMNPKIOZMGYQIU-UHFFFAOYSA-N |
Product Description
Applications: Trifluoromethyluracil is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Trifluoromethyluracil (CAS 54-20-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Trifluoromethyluracil (CAS 54-20-6) has the molecular formula C5H3F3N2O2 and a molecular weight of 180.01 g/mol. It is also known as 5-(Trifluoromethyl)uracil and Trifluorothymine.
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 Trifluoromethyluracil
Property Insights of Trifluoromethyluracil
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoromethyluracil. With a topological polar surface area (TPSA) of 58.2 Ų, Trifluoromethyluracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoromethyluracil has 2 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 Trifluoromethyluracil?
The CAS number of Trifluoromethyluracil is 54-20-6.
What is the molecular formula of Trifluoromethyluracil?
The molecular formula of Trifluoromethyluracil is C5H3F3N2O2.
What is the molecular weight of Trifluoromethyluracil?
The molecular weight of Trifluoromethyluracil is 180.01466 g/mol.
What are the applications of Trifluoromethyluracil?
Trifluoromethyluracil is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Trifluoromethyluracil (CAS...
Where can I buy Trifluoromethyluracil?
You can request a quote for Trifluoromethyluracil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trifluoromethyluracil?
Yes, CoreyChem provides custom synthesis services for Trifluoromethyluracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.