Methyl trifluoromethyl ketone
TL;DR: Methyl trifluoromethyl ketone (CAS 421-50-1) is a chemical compound with molecular formula C3H3F3O and molecular weight 112.013596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1,1-trifluoropropan-2-one
Also Known As: 1,1,1-TRIFLUOROACETONE, Trifluoroacetone, 1,1,1-trifluoropropan-2-one, trifluoracetone, Trifluoroketone
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H3F3O |
| Molecular Weight | 112.013596 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.013596 Da |
| Heavy Atoms | 7 |
| Complexity | 82.0 |
| Vapor Pressure | 728.0 [mmHg] |
| SMILES | CC(=O)C(F)(F)F |
| InChIKey | FHUDAMLDXFJHJE-UHFFFAOYSA-N |
Product Description
Applications: Methyl trifluoromethyl ketone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. 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).
A heterocyclic building block supplied by CoreyChem, Methyl trifluoromethyl ketone (CAS 421-50-1) has the molecular formula C3H3F3O and a molecular weight of 112.01 g/mol. Synonyms include 1,1,1-TRIFLUOROACETONE and Trifluoroacetone.
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 Methyl trifluoromethyl ketone
Property Insights of Methyl trifluoromethyl ketone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl trifluoromethyl ketone. With a topological polar surface area (TPSA) of 17.1 Ų, Methyl trifluoromethyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl trifluoromethyl ketone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl trifluoromethyl ketone?
The CAS number of Methyl trifluoromethyl ketone is 421-50-1.
What is the molecular formula of Methyl trifluoromethyl ketone?
The molecular formula of Methyl trifluoromethyl ketone is C3H3F3O.
What is the molecular weight of Methyl trifluoromethyl ketone?
The molecular weight of Methyl trifluoromethyl ketone is 112.013596 g/mol.
What are the applications of Methyl trifluoromethyl ketone?
Methyl trifluoromethyl ketone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from...
Where can I buy Methyl trifluoromethyl ketone?
You can request a quote for Methyl trifluoromethyl ketone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl trifluoromethyl ketone?
Yes, CoreyChem provides custom synthesis services for Methyl trifluoromethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.