Ethanone, 2,2,2-trifluoro-1-(3-thienyl)-
TL;DR: Ethanone, 2,2,2-trifluoro-1-(3-thienyl)- (CAS 30933-31-4) is a chemical compound with molecular formula C6H3F3OS and molecular weight 179.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-thiophen-3-ylethanone
Also Known As: Ethanone, 2,2,2-trifluoro-1-(3-thienyl)-, 2,2,2-trifluoro-1-thiophen-3-ylethanone, 2,2,2-trifluoro-1-(thiophen-3-yl)ethan-1-one, 3-Thienyl(trifluoromethyl) ketone, Ethanone,2,2,2-trifluoro-1- -
| Molecular Formula | C6H3F3OS |
|---|---|
| Molecular Weight | 179.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.98567 |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 30933-31-4 |
|---|---|
| SMILES | C1=CSC=C1C(=O)C(F)(F)F |
| InChIKey | XJQKKPZHXBKCLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 2,2,2-trifluoro-1-(3-thienyl)- (CAS 30933-31-4), with molecular formula C6H3F3OS and molecular weight 179.99 g/mol. IUPAC: 2,2,2-trifluoro-1-thiophen-3-ylethanone.
Chemical Property Profile of Ethanone, 2,2,2-trifluoro-1-(3-thienyl)-
Property Insights of Ethanone, 2,2,2-trifluoro-1-(3-thienyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 2,2,2-trifluoro-1-(3-thienyl)-. With a topological polar surface area (TPSA) of 45.3 Ų, Ethanone, 2,2,2-trifluoro-1-(3-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 2,2,2-trifluoro-1-(3-thienyl)- 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 Ethanone, 2,2,2-trifluoro-1-(3-thienyl)-?
The CAS number of Ethanone, 2,2,2-trifluoro-1-(3-thienyl)- is 30933-31-4.
What is the molecular formula of Ethanone, 2,2,2-trifluoro-1-(3-thienyl)-?
The molecular formula of Ethanone, 2,2,2-trifluoro-1-(3-thienyl)- is C6H3F3OS.
What is the molecular weight of Ethanone, 2,2,2-trifluoro-1-(3-thienyl)-?
The molecular weight of Ethanone, 2,2,2-trifluoro-1-(3-thienyl)- is 179.99 g/mol.
Where can I buy Ethanone, 2,2,2-trifluoro-1-(3-thienyl)-?
You can request a quote for Ethanone, 2,2,2-trifluoro-1-(3-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2,2,2-trifluoro-1-(3-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2,2,2-trifluoro-1-(3-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.