1-(2,3,6-Trifluorophenyl)ethanone
TL;DR: 1-(2,3,6-Trifluorophenyl)ethanone (CAS 243448-15-9) is a chemical compound with molecular formula C8H5F3O and molecular weight 174.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3,6-trifluorophenyl)ethanone
Also Known As: 2',3',6'-Trifluoroacetophenone, 1-(2,3,6-Trifluorophenyl)ethanone, 2,3,6-Trifluoroacetophenone, Ethanone, 1-(2,3,6-trifluorophenyl)-, 3-BUTENE-1,2-DIOL
| Molecular Formula | C8H5F3O |
|---|---|
| Molecular Weight | 174.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.02925 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 243448-15-9 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1F)F)F |
| InChIKey | INDGVPJYDRJJPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,3,6-Trifluorophenyl)ethanone (CAS 243448-15-9), with molecular formula C8H5F3O and molecular weight 174.03 g/mol. IUPAC: 1-(2,3,6-trifluorophenyl)ethanone.
Chemical Property Profile of 1-(2,3,6-Trifluorophenyl)ethanone
Property Insights of 1-(2,3,6-Trifluorophenyl)ethanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3,6-Trifluorophenyl)ethanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(2,3,6-Trifluorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3,6-Trifluorophenyl)ethanone 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 1-(2,3,6-Trifluorophenyl)ethanone?
The CAS number of 1-(2,3,6-Trifluorophenyl)ethanone is 243448-15-9.
What is the molecular formula of 1-(2,3,6-Trifluorophenyl)ethanone?
The molecular formula of 1-(2,3,6-Trifluorophenyl)ethanone is C8H5F3O.
What is the molecular weight of 1-(2,3,6-Trifluorophenyl)ethanone?
The molecular weight of 1-(2,3,6-Trifluorophenyl)ethanone is 174.03 g/mol.
Where can I buy 1-(2,3,6-Trifluorophenyl)ethanone?
You can request a quote for 1-(2,3,6-Trifluorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3,6-Trifluorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3,6-Trifluorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.