2,2,2-Trifluoro-2',4',6'-trimethylacetophenone
TL;DR: 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone (CAS 313-56-4) is a chemical compound with molecular formula C11H11F3O and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethanone
Also Known As: 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone, trifluoroacetylmesitylene, 2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethanone, mesityl trifluoromethyl ketone, 2,2,2-Trifluoro-1-mesitylethanone
| Molecular Formula | C11H11F3O |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.0762 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 313-56-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)C(F)(F)F)C |
| InChIKey | VINRTVDNUHIWCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-Trifluoro-2',4',6'-trimethylacetophenone (CAS 313-56-4), with molecular formula C11H11F3O and molecular weight 216.08 g/mol. IUPAC: 2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethanone.
Chemical Property Profile of 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone
Property Insights of 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone
The XLogP value of 3.8 indicates that 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone 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
Frequently Asked Questions
What is the CAS number of 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone?
The CAS number of 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone is 313-56-4.
What is the molecular formula of 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone?
The molecular formula of 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone is C11H11F3O.
What is the molecular weight of 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone?
The molecular weight of 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone is 216.08 g/mol.
Where can I buy 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone?
You can request a quote for 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoro-2',4',6'-trimethylacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.