Acetaldehyde-O-pentafluorobenzyloxime
TL;DR: Acetaldehyde-O-pentafluorobenzyloxime (CAS 114611-59-5) is a chemical compound with molecular formula C9H6F5NO and molecular weight 239.03696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine
Also Known As: Acetaldehyde-O-pfbo, PFBOA-ACETALDEHYDE, Acetaldehyde-O-pentafluorobenzyloxime, Acetaldehyde-O-pentafluorophenylmethyl-oxime, N-[(Pentafluorophenyl)methoxy]ethanimine
Technical Specifications
| Molecular Formula | C9H6F5NO |
| Molecular Weight | 239.03696 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.03696 Da |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
| SMILES | CC=NOCC1=C(C(=C(C(=C1F)F)F)F)F |
| InChIKey | AKDRYEADQPNLOH-UHFFFAOYSA-N |
Chemical Property Profile of Acetaldehyde-O-pentafluorobenzyloxime
Property Insights of Acetaldehyde-O-pentafluorobenzyloxime
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetaldehyde-O-pentafluorobenzyloxime. With a topological polar surface area (TPSA) of 21.6 Ų, Acetaldehyde-O-pentafluorobenzyloxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetaldehyde-O-pentafluorobenzyloxime has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetaldehyde-O-pentafluorobenzyloxime?
The CAS number of Acetaldehyde-O-pentafluorobenzyloxime is 114611-59-5.
What is the molecular formula of Acetaldehyde-O-pentafluorobenzyloxime?
The molecular formula of Acetaldehyde-O-pentafluorobenzyloxime is C9H6F5NO.
What is the molecular weight of Acetaldehyde-O-pentafluorobenzyloxime?
The molecular weight of Acetaldehyde-O-pentafluorobenzyloxime is 239.03696 g/mol.
Where can I buy Acetaldehyde-O-pentafluorobenzyloxime?
You can request a quote for Acetaldehyde-O-pentafluorobenzyloxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetaldehyde-O-pentafluorobenzyloxime?
Yes, CoreyChem provides custom synthesis services for Acetaldehyde-O-pentafluorobenzyloxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.