1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime
TL;DR: 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime (CAS 100700-40-1) is a chemical compound with molecular formula C11H9Cl2F4NO2 and molecular weight 332.99466 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2-[chloro(difluoro)methyl]-1,1-difluoro-4-hydroxyimino-4-phenylbutan-2-ol
Also Known As: 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime
Technical Specifications
| Molecular Formula | C11H9Cl2F4NO2 |
| Molecular Weight | 332.99466 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.99466 Da |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
| SMILES | C1=CC=C(C=C1)C(=NO)CC(C(F)(F)Cl)(C(F)(F)Cl)O |
| InChIKey | KVKALHJOIUZSJD-UHFFFAOYSA-N |
Chemical Property Profile of 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime
Property Insights of 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime
The XLogP value of 3.7 indicates that 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.8 Ų, 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime has 2 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 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime?
The CAS number of 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime is 100700-40-1.
What is the molecular formula of 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime?
The molecular formula of 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime is C11H9Cl2F4NO2.
What is the molecular weight of 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime?
The molecular weight of 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime is 332.99466 g/mol.
Where can I buy 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime?
You can request a quote for 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime?
Yes, CoreyChem provides custom synthesis services for 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.