1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate
TL;DR: 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate (CAS 139244-47-6) is a chemical compound with molecular formula C8H4F6N2O2 and molecular weight 274.0177 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1,3,3,3-hexafluoropropan-2-yl pyrazine-2-carboxylate
Also Known As: Bis(trifluoromethyl)methyl pyrazinoate, 1,1,1,3,3,3-hexafluoropropan-2-yl pyrazine-2-carboxylate, Pyrazinecarboxylic acid, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] pyrazine-2-carboxylate, 2-Pyrazinecarboxylic acid, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester
Technical Specifications
| Molecular Formula | C8H4F6N2O2 |
| Molecular Weight | 274.0177 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0177 Da |
| Heavy Atoms | 18 |
| Complexity | 289.0 |
| SMILES | C1=CN=C(C=N1)C(=O)OC(C(F)(F)F)C(F)(F)F |
| InChIKey | WVGZASXPUIGDQS-UHFFFAOYSA-N |
Chemical Property Profile of 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate
Property Insights of 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate. With a topological polar surface area (TPSA) of 52.1 Ų, 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate?
The CAS number of 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate is 139244-47-6.
What is the molecular formula of 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate?
The molecular formula of 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate is C8H4F6N2O2.
What is the molecular weight of 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate?
The molecular weight of 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate is 274.0177 g/mol.
Where can I buy 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate?
You can request a quote for 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for 1,1,1,3,3,3-Hexafluoropropan-2-yl pyrazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.