2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
TL;DR: 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate (CAS 13721-00-1) is a chemical compound with molecular formula C4H2Cl3F3O2 and molecular weight 243.90724 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trifluoroethyl 2,2,2-trichloroacetate
Also Known As: 2,2,2-trifluoroethyl trichloroacetate, 2,2,2-trifluoroethyl 2,2,2-trichloroacetate, 2,2,2-trifluoroethyl2,2,2-trichloroacetate, H38480
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H2Cl3F3O2 |
| Molecular Weight | 243.90724 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.90724 Da |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
| SMILES | C(C(F)(F)F)OC(=O)C(Cl)(Cl)Cl |
| InChIKey | PBNSIWIXDXFYGL-UHFFFAOYSA-N |
Chemical Property Profile of 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
Property Insights of 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
The XLogP value of 3.1 indicates that 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate 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 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate?
The CAS number of 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate is 13721-00-1.
What is the molecular formula of 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate?
The molecular formula of 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate is C4H2Cl3F3O2.
What is the molecular weight of 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate?
The molecular weight of 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate is 243.90724 g/mol.
Where can I buy 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate?
You can request a quote for 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate?
Yes, CoreyChem provides custom synthesis services for 2,2,2-Trifluoroethyl 2,2,2-trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.