4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione
TL;DR: 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione (CAS 326-90-9) is a chemical compound with molecular formula C8H5F3O3 and molecular weight 206.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione
Also Known As: 2-Furoyltrifluoroacetone, 4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione, Furoyltrifluoroacetone, Furonyltrifluoroacetone, 4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione
| Molecular Formula | C8H5F3O3 |
|---|---|
| Molecular Weight | 206.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.01907 |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 326-90-9 |
|---|---|
| SMILES | C1=COC(=C1)C(=O)CC(=O)C(F)(F)F |
| InChIKey | OWLPCALGCHDBCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione (CAS 326-90-9), with molecular formula C8H5F3O3 and molecular weight 206.02 g/mol. IUPAC: 4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione.
Chemical Property Profile of 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione
Property Insights of 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione. With a topological polar surface area (TPSA) of 47.3 Ų, 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione has 0 hydrogen bond donor(s) and 6 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 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione?
The CAS number of 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione is 326-90-9.
What is the molecular formula of 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione?
The molecular formula of 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione is C8H5F3O3.
What is the molecular weight of 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione?
The molecular weight of 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione is 206.02 g/mol.
Where can I buy 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione?
You can request a quote for 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.