4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol
TL;DR: 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol (CAS 100482-55-1) is a chemical compound with molecular formula C9H6F6OS and molecular weight 276.00436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4,4-trifluoro-1-thiophen-2-yl-3-(trifluoromethyl)but-2-en-1-ol
Also Known As: 1-(2-Thienyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-ol, 2-Nitrobenzeneacrylic acid methyl ester, 4,4,4-trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol, 4,4,4-trifluoro-1-thiophen-2-yl-3-(trifluoromethyl)but-2-en-1-ol, 2-BUTEN-1-OL, 1-THENYL-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-
Technical Specifications
| Molecular Formula | C9H6F6OS |
| Molecular Weight | 276.00436 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 48.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.00436 Da |
| Heavy Atoms | 17 |
| Complexity | 279.0 |
| SMILES | C1=CSC(=C1)C(C=C(C(F)(F)F)C(F)(F)F)O |
| InChIKey | DTHGYDUZALFGDB-UHFFFAOYSA-N |
Chemical Property Profile of 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol
Property Insights of 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol
The XLogP value of 3.5 indicates that 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.5 Ų, 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol?
The CAS number of 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol is 100482-55-1.
What is the molecular formula of 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol?
The molecular formula of 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol is C9H6F6OS.
What is the molecular weight of 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol?
The molecular weight of 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol is 276.00436 g/mol.
Where can I buy 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol?
You can request a quote for 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol?
Yes, CoreyChem provides custom synthesis services for 4,4,4-Trifluoro-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.