Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester
TL;DR: Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester (CAS 61433-91-8) is a chemical compound with molecular formula C4H4BrF3O2 and molecular weight 219.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 2-bromoacetate
Also Known As: 2,2,2-trifluoroethyl 2-bromoacetate, 2,2,2-Trifluoroethyl bromoacetate, Bromoacetic acid 2,2,2-trifluoroethyl ester, trifluoroethyl bromoacetate, Acetic acid, bromo-, 2,2,2-trifluoroethyl ester
| Molecular Formula | C4H4BrF3O2 |
|---|---|
| Molecular Weight | 219.93 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.93468 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 61433-91-8 |
|---|---|
| SMILES | C(C(=O)OCC(F)(F)F)Br |
| InChIKey | IKQJUNXXIIHEKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester (CAS 61433-91-8), with molecular formula C4H4BrF3O2 and molecular weight 219.93 g/mol. IUPAC: 2,2,2-trifluoroethyl 2-bromoacetate.
Chemical Property Profile of Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester
Property Insights of Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester 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 Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester?
The CAS number of Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester is 61433-91-8.
What is the molecular formula of Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester?
The molecular formula of Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester is C4H4BrF3O2.
What is the molecular weight of Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester?
The molecular weight of Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester is 219.93 g/mol.
Where can I buy Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester?
You can request a quote for Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-bromo-, 2,2,2-trifluoroethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.