Ethyl, 2,2,2-trifluoro-1-oxo-
TL;DR: Ethyl, 2,2,2-trifluoro-1-oxo- (CAS 6185-26-8) is a chemical compound with molecular formula C2F3O and molecular weight 96.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Trifluoroacetyl, Acetyl, trifluoro-, trifluoromethylcarbonyl, Trifluoroacetyl radical, (Trifluoroacetyl)radical
| Molecular Formula | C2F3O |
|---|---|
| Molecular Weight | 96.99 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 96.99013 |
| Heavy Atoms | 6 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 6185-26-8 |
|---|---|
| SMILES | [C](=O)C(F)(F)F |
| InChIKey | WSNDAYQNZRJGMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl, 2,2,2-trifluoro-1-oxo- (CAS 6185-26-8), with molecular formula C2F3O and molecular weight 96.99 g/mol.
Chemical Property Profile of Ethyl, 2,2,2-trifluoro-1-oxo-
Property Insights of Ethyl, 2,2,2-trifluoro-1-oxo-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl, 2,2,2-trifluoro-1-oxo-. With a topological polar surface area (TPSA) of 17.1 Ų, Ethyl, 2,2,2-trifluoro-1-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl, 2,2,2-trifluoro-1-oxo- has 0 hydrogen bond donor(s) and 4 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 Ethyl, 2,2,2-trifluoro-1-oxo-?
The CAS number of Ethyl, 2,2,2-trifluoro-1-oxo- is 6185-26-8.
What is the molecular formula of Ethyl, 2,2,2-trifluoro-1-oxo-?
The molecular formula of Ethyl, 2,2,2-trifluoro-1-oxo- is C2F3O.
What is the molecular weight of Ethyl, 2,2,2-trifluoro-1-oxo-?
The molecular weight of Ethyl, 2,2,2-trifluoro-1-oxo- is 96.99 g/mol.
Where can I buy Ethyl, 2,2,2-trifluoro-1-oxo-?
You can request a quote for Ethyl, 2,2,2-trifluoro-1-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl, 2,2,2-trifluoro-1-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Ethyl, 2,2,2-trifluoro-1-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.