4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime
TL;DR: 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime (CAS 100513-54-0) is a chemical compound with molecular formula C9H7F6NO2S and molecular weight 307.01016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1-trifluoro-4-hydroxyimino-4-thiophen-2-yl-2-(trifluoromethyl)butan-2-ol
Also Known As: NCI60_001185, (4Z)-1,1,1-trifluoro-4-hydroxyimino-4-thiophen-2-yl-2-(trifluoromethyl)butan-2-ol, 1,1,1-trifluoro-4-(hydroxyimino)-4-(thiophen-2-yl)-2-(trifluoromethyl)butan-2-ol, 1,1,1-trifluoro-4-hydroxyimino-4-thiophen-2-yl-2-(trifluoromethyl)butan-2-ol, 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime
Technical Specifications
| Molecular Formula | C9H7F6NO2S |
| Molecular Weight | 307.01016 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 81.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.01016 Da |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
| SMILES | C1=CSC(=C1)C(=NO)CC(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | ITGUSLGHWMHJRN-UHFFFAOYSA-N |
Chemical Property Profile of 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime
Property Insights of 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime
The XLogP value of 3.2 indicates that 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime has 2 hydrogen bond donor(s) and 10 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-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime?
The CAS number of 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime is 100513-54-0.
What is the molecular formula of 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime?
The molecular formula of 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime is C9H7F6NO2S.
What is the molecular weight of 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime?
The molecular weight of 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime is 307.01016 g/mol.
Where can I buy 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime?
You can request a quote for 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime?
Yes, CoreyChem provides custom synthesis services for 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.