4-Chloro-4,4-difluoro-2-butanone
TL;DR: 4-Chloro-4,4-difluoro-2-butanone (CAS 1515-16-8) is a chemical compound with molecular formula C4H5ClF2O and molecular weight 141.9997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-4,4-difluorobutan-2-one
Also Known As: 4-Chloro-4,4-difluoro-2-butanone, 4-chloro-4,4-difluorobutan-2-one, 2-Butanone, 4-chloro-4,4-difluoro-, 4-Chloro-4,4-difluoro-2-butanone #, 2-chloro-2,2-difluoroethyl methyl ketone
Technical Specifications
| Molecular Formula | C4H5ClF2O |
| Molecular Weight | 141.9997 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 141.9997 Da |
| Heavy Atoms | 8 |
| Complexity | 102.0 |
| SMILES | CC(=O)CC(F)(F)Cl |
| InChIKey | SMCIAOVKUXCWGS-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-4,4-difluoro-2-butanone
Property Insights of 4-Chloro-4,4-difluoro-2-butanone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-4,4-difluoro-2-butanone. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Chloro-4,4-difluoro-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-4,4-difluoro-2-butanone has 0 hydrogen bond donor(s) and 3 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-Chloro-4,4-difluoro-2-butanone?
The CAS number of 4-Chloro-4,4-difluoro-2-butanone is 1515-16-8.
What is the molecular formula of 4-Chloro-4,4-difluoro-2-butanone?
The molecular formula of 4-Chloro-4,4-difluoro-2-butanone is C4H5ClF2O.
What is the molecular weight of 4-Chloro-4,4-difluoro-2-butanone?
The molecular weight of 4-Chloro-4,4-difluoro-2-butanone is 141.9997 g/mol.
Where can I buy 4-Chloro-4,4-difluoro-2-butanone?
You can request a quote for 4-Chloro-4,4-difluoro-2-butanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-4,4-difluoro-2-butanone?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-4,4-difluoro-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.