1,3-Dichlorotetrafluoroacetone
TL;DR: 1,3-Dichlorotetrafluoroacetone (CAS 127-21-9) is a chemical compound with molecular formula C3Cl2F4O and molecular weight 197.92624 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dichloro-1,1,3,3-tetrafluoropropan-2-one
Also Known As: 1,3-Dichlorotetrafluoroacetone, DCTFA, Dichlorotetrafluoroacetone, Stauffer N-3,412, Bis(chlorodifluoromethyl) ketone
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3Cl2F4O |
| Molecular Weight | 197.92624 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.92624 Da |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
| SMILES | C(=O)(C(F)(F)Cl)C(F)(F)Cl |
| InChIKey | QRKKTXWUDLJYCV-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Dichlorotetrafluoroacetone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
1,3-Dichlorotetrafluoroacetone is a heterocyclic building block identified by CAS number 127-21-9 and the molecular formula C3Cl2F4O and a molecular weight of 197.93 g/mol. Synonyms include 1,3-Dichlorotetrafluoroacetone and DCTFA.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1,3-Dichlorotetrafluoroacetone
Property Insights of 1,3-Dichlorotetrafluoroacetone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dichlorotetrafluoroacetone. With a topological polar surface area (TPSA) of 17.1 Ų, 1,3-Dichlorotetrafluoroacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichlorotetrafluoroacetone has 0 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 1,3-Dichlorotetrafluoroacetone?
The CAS number of 1,3-Dichlorotetrafluoroacetone is 127-21-9.
What is the molecular formula of 1,3-Dichlorotetrafluoroacetone?
The molecular formula of 1,3-Dichlorotetrafluoroacetone is C3Cl2F4O.
What is the molecular weight of 1,3-Dichlorotetrafluoroacetone?
The molecular weight of 1,3-Dichlorotetrafluoroacetone is 197.92624 g/mol.
What are the applications of 1,3-Dichlorotetrafluoroacetone?
1,3-Dichlorotetrafluoroacetone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem...
Where can I buy 1,3-Dichlorotetrafluoroacetone?
You can request a quote for 1,3-Dichlorotetrafluoroacetone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dichlorotetrafluoroacetone?
Yes, CoreyChem provides custom synthesis services for 1,3-Dichlorotetrafluoroacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.