2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime
TL;DR: 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime (CAS 101931-73-1) is a chemical compound with molecular formula C6H7F6NO2 and molecular weight 239.0381 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4Z)-1,1,1-trifluoro-4-hydroxyimino-2-(trifluoromethyl)pentan-2-ol
Also Known As: 4-Hydroxy-5,5,5-trifluoro-4-trifluoromethyl-2-pentanone oxime, 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime, 5,5,5-Trifluoro-4-hydroxy-4-trifluoromethyl-2-pentanone oxime, (4Z)-1,1,1-trifluoro-4-hydroxyimino-2-(trifluoromethyl)pentan-2-ol
Technical Specifications
| Molecular Formula | C6H7F6NO2 |
| Molecular Weight | 239.0381 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.0381 Da |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
| SMILES | C/C(=N/O)/CC(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | JHARULSMJVOMKF-DXNYSGJVSA-N |
Chemical Property Profile of 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime
Property Insights of 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime. With a topological polar surface area (TPSA) of 52.8 Ų, 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime has 2 hydrogen bond donor(s) and 9 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-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime?
The CAS number of 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime is 101931-73-1.
What is the molecular formula of 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime?
The molecular formula of 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime is C6H7F6NO2.
What is the molecular weight of 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime?
The molecular weight of 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime is 239.0381 g/mol.
Where can I buy 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime?
You can request a quote for 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime?
Yes, CoreyChem provides custom synthesis services for 2-Pentanone, 4-hydroxy-5,5,5-trifluoro-4-trifluoromethyl-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.