2,2,2-Trifluoroethyl Acetate
TL;DR: 2,2,2-Trifluoroethyl Acetate (CAS 61721-07-1) is a chemical compound with molecular formula CC(=O)OCC(F)(F)F and molecular weight 142.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl acetate
Also Known As: 2,2,2-trifluoroethyl acetate, trifluoroethyl acetate, trifluoroethylacetate, Ethanol, 2,2,2-trifluoro-, acetate, 2,2,2-TRIFLUOROETHYLACETATE
| Molecular Formula | CC(=O)OCC(F)(F)F |
|---|---|
| Molecular Weight | 142.02 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.02417 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 61721-07-1 |
|---|---|
| SMILES | CC(=O)OCC(F)(F)F |
| InChIKey | ZOWSJJBOQDKOHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-Trifluoroethyl Acetate (CAS 61721-07-1), with molecular formula CC(=O)OCC(F)(F)F and molecular weight 142.02 g/mol. IUPAC: 2,2,2-trifluoroethyl acetate.
Chemical Property Profile of 2,2,2-Trifluoroethyl Acetate
Property Insights of 2,2,2-Trifluoroethyl Acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoroethyl Acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,2-Trifluoroethyl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl Acetate 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
Frequently Asked Questions
What is the CAS number of 2,2,2-Trifluoroethyl Acetate?
The CAS number of 2,2,2-Trifluoroethyl Acetate is 61721-07-1.
What is the molecular formula of 2,2,2-Trifluoroethyl Acetate?
The molecular formula of 2,2,2-Trifluoroethyl Acetate is CC(=O)OCC(F)(F)F.
What is the molecular weight of 2,2,2-Trifluoroethyl Acetate?
The molecular weight of 2,2,2-Trifluoroethyl Acetate is 142.02 g/mol.
Where can I buy 2,2,2-Trifluoroethyl Acetate?
You can request a quote for 2,2,2-Trifluoroethyl Acetate 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 Acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.