2-Fluoro-6-iodobenzoate
TL;DR: 2-Fluoro-6-iodobenzoate (CAS 111771-08-5) is a chemical compound with molecular formula C7H3FIO2- and molecular weight 264.91617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-6-iodobenzoate
Also Known As: 2-fluoro-6-iodobenzoate, 2-Fluoro-6-iodobenzoic acid, 2-Fluoro-6-Iodobenzoicacid
Technical Specifications
| Molecular Formula | C7H3FIO2- |
| Molecular Weight | 264.91617 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.91617 Da |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
| SMILES | C1=CC(=C(C(=C1)I)C(=O)[O-])F |
| InChIKey | CYCXAPWOBWWNRK-UHFFFAOYSA-M |
Chemical Property Profile of 2-Fluoro-6-iodobenzoate
Property Insights of 2-Fluoro-6-iodobenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-6-iodobenzoate. With a topological polar surface area (TPSA) of 40.1 Ų, 2-Fluoro-6-iodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-6-iodobenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Fluoro-6-iodobenzoate?
The CAS number of 2-Fluoro-6-iodobenzoate is 111771-08-5.
What is the molecular formula of 2-Fluoro-6-iodobenzoate?
The molecular formula of 2-Fluoro-6-iodobenzoate is C7H3FIO2-.
What is the molecular weight of 2-Fluoro-6-iodobenzoate?
The molecular weight of 2-Fluoro-6-iodobenzoate is 264.91617 g/mol.
Where can I buy 2-Fluoro-6-iodobenzoate?
You can request a quote for 2-Fluoro-6-iodobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Fluoro-6-iodobenzoate?
Yes, CoreyChem provides custom synthesis services for 2-Fluoro-6-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.