![2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide structure](/static/products/1580/158074-65-8.webp)
2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide
TL;DR: 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide (CAS 158074-65-8) is a chemical compound with molecular formula C13H12F3NO2 and molecular weight 271.082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,2-trifluoro-N-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]acetamide
Also Known As: 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide, 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]acetamide, 12R-1153, 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]acetamide, 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]acetamide
Technical Specifications
| Molecular Formula | C13H12F3NO2 |
| Molecular Weight | 271.082 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.082 Da |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
| SMILES | CC(C)(C#CC1=CC=C(C=C1)NC(=O)C(F)(F)F)O |
| InChIKey | QKASUPJNANZGSF-UHFFFAOYSA-N |
Chemical Property Profile of 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide
Property Insights of 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide. With a topological polar surface area (TPSA) of 49.3 Ų, 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide?
The CAS number of 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide is 158074-65-8.
What is the molecular formula of 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide?
The molecular formula of 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide is C13H12F3NO2.
What is the molecular weight of 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide?
The molecular weight of 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide is 271.082 g/mol.
Where can I buy 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide?
You can request a quote for 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide?
Yes, CoreyChem provides custom synthesis services for 2,2,2-trifluoro-N-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.