1,1,1-Trifluoro-3-(2-thienyl)acetone
TL;DR: 1,1,1-Trifluoro-3-(2-thienyl)acetone (CAS 14529-33-0) is a chemical compound with molecular formula C7H5F3OS and molecular weight 194.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-3-thiophen-2-ylpropan-2-one
Also Known As: 1,1,1-Trifluoro-3-(2-thienyl)acetone, Thienyltrifluoroacetone, 1,1,1-Trifluoro-3-(2-thienyl)-2-propanone, 1,1,1-TRIFLUORO-3-(THIOPHEN-2-YL)PROPAN-2-ONE, 1,1,1-trifluoro-3-thiophen-2-ylpropan-2-one
| Molecular Formula | C7H5F3OS |
|---|---|
| Molecular Weight | 194.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.00133 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 14529-33-0 |
|---|---|
| SMILES | C1=CSC(=C1)CC(=O)C(F)(F)F |
| InChIKey | NBKNXYCQJHKJEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trifluoro-3-(2-thienyl)acetone (CAS 14529-33-0), with molecular formula C7H5F3OS and molecular weight 194.00 g/mol. IUPAC: 1,1,1-trifluoro-3-thiophen-2-ylpropan-2-one.
Chemical Property Profile of 1,1,1-Trifluoro-3-(2-thienyl)acetone
Property Insights of 1,1,1-Trifluoro-3-(2-thienyl)acetone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-3-(2-thienyl)acetone. With a topological polar surface area (TPSA) of 45.3 Ų, 1,1,1-Trifluoro-3-(2-thienyl)acetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-3-(2-thienyl)acetone 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 1,1,1-Trifluoro-3-(2-thienyl)acetone?
The CAS number of 1,1,1-Trifluoro-3-(2-thienyl)acetone is 14529-33-0.
What is the molecular formula of 1,1,1-Trifluoro-3-(2-thienyl)acetone?
The molecular formula of 1,1,1-Trifluoro-3-(2-thienyl)acetone is C7H5F3OS.
What is the molecular weight of 1,1,1-Trifluoro-3-(2-thienyl)acetone?
The molecular weight of 1,1,1-Trifluoro-3-(2-thienyl)acetone is 194.00 g/mol.
Where can I buy 1,1,1-Trifluoro-3-(2-thienyl)acetone?
You can request a quote for 1,1,1-Trifluoro-3-(2-thienyl)acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-3-(2-thienyl)acetone?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-3-(2-thienyl)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.