2,2,2-Trifluoroethyl trifluoroacetate
TL;DR: 2,2,2-Trifluoroethyl trifluoroacetate (CAS 407-38-5) is a chemical compound with molecular formula C4H2F6O2 and molecular weight 196.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 2,2,2-trifluoroacetate
Also Known As: 2,2,2-Trifluoroethyl trifluoroacetate, 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate, trifluoroethyl trifluoroacetate, CF3C(O)OCH2CF3, CF3CO2CH2CF3
| Molecular Formula | C4H2F6O2 |
|---|---|
| Molecular Weight | 196.00 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.9959 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 407-38-5 |
|---|---|
| SMILES | C(C(F)(F)F)OC(=O)C(F)(F)F |
| InChIKey | ZKUJOCJJXCPCFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-Trifluoroethyl trifluoroacetate (CAS 407-38-5), with molecular formula C4H2F6O2 and molecular weight 196.00 g/mol. IUPAC: 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate.
Chemical Property Profile of 2,2,2-Trifluoroethyl trifluoroacetate
Property Insights of 2,2,2-Trifluoroethyl trifluoroacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoroethyl trifluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,2-Trifluoroethyl trifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl trifluoroacetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,2-Trifluoroethyl trifluoroacetate?
The CAS number of 2,2,2-Trifluoroethyl trifluoroacetate is 407-38-5.
What is the molecular formula of 2,2,2-Trifluoroethyl trifluoroacetate?
The molecular formula of 2,2,2-Trifluoroethyl trifluoroacetate is C4H2F6O2.
What is the molecular weight of 2,2,2-Trifluoroethyl trifluoroacetate?
The molecular weight of 2,2,2-Trifluoroethyl trifluoroacetate is 196.00 g/mol.
Where can I buy 2,2,2-Trifluoroethyl trifluoroacetate?
You can request a quote for 2,2,2-Trifluoroethyl trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.