3,4,6-Trifluorophthalic anhydride
TL;DR: 3,4,6-Trifluorophthalic anhydride (CAS 130129-51-0) is a chemical compound with molecular formula C8HF3O3 and molecular weight 201.98778 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5,7-trifluoro-2-benzofuran-1,3-dione
Also Known As: 3,4,6-trifluorophthalic anhydride, 4,5,7-trifluoroisobenzofuran-1,3-dione, 4,5,7-Trifluoro-1,3-isobenzofurandione, 4,5,7-trifluoro-2-benzofuran-1,3-dione, J2.569.381G
Technical Specifications
| Molecular Formula | C8HF3O3 |
| Molecular Weight | 201.98778 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.98778 Da |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
| SMILES | C1=C(C2=C(C(=C1F)F)C(=O)OC2=O)F |
| InChIKey | XQINKQVFUASLEF-UHFFFAOYSA-N |
Chemical Property Profile of 3,4,6-Trifluorophthalic anhydride
Property Insights of 3,4,6-Trifluorophthalic anhydride
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,6-Trifluorophthalic anhydride. With a topological polar surface area (TPSA) of 43.4 Ų, 3,4,6-Trifluorophthalic anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,6-Trifluorophthalic anhydride 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
What is the CAS number of 3,4,6-Trifluorophthalic anhydride?
The CAS number of 3,4,6-Trifluorophthalic anhydride is 130129-51-0.
What is the molecular formula of 3,4,6-Trifluorophthalic anhydride?
The molecular formula of 3,4,6-Trifluorophthalic anhydride is C8HF3O3.
What is the molecular weight of 3,4,6-Trifluorophthalic anhydride?
The molecular weight of 3,4,6-Trifluorophthalic anhydride is 201.98778 g/mol.
Where can I buy 3,4,6-Trifluorophthalic anhydride?
You can request a quote for 3,4,6-Trifluorophthalic anhydride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4,6-Trifluorophthalic anhydride?
Yes, CoreyChem provides custom synthesis services for 3,4,6-Trifluorophthalic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.