2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile
TL;DR: 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile (CAS 215732-94-8) is a chemical compound with molecular formula C9H3F4NO2 and molecular weight 233.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3-tetrafluoro-1,4-benzodioxine-6-carbonitrile
Also Known As: 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile, 2,2,3,3-Tetrafluoro-6-nitrilobenzodioxene, 2,2,3,3-tetrafluoro-1,4-benzodioxine-6-carbonitrile, 2,2,3,3-Tetrafluoro-6-cyanobenzodioxene, 2,2,3,3-tetrafluoro-2,3-dihydrobenzo[b][1,4]dioxine-6-carbonitrile
| Molecular Formula | C9H3F4NO2 |
|---|---|
| Molecular Weight | 233.01 g/mol |
| LogP | 2.51508 |
| Topological Polar Surface Area | 42.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 233.01 |
| Heavy Atoms | 16 |
| Complexity | 480.8876 |
Chemical Identifiers
| CAS Number | 215732-94-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1C#N)OC(C(O2)(F)F)(F)F |
Product Overview
2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile (CAS 215732-94-8), with molecular formula C9H3F4NO2 and molecular weight 233.01 g/mol. IUPAC: 2,2,3,3-tetrafluoro-1,4-benzodioxine-6-carbonitrile.
Chemical Property Profile of 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile
Property Insights of 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile
The XLogP value of 2.51508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile. With a topological polar surface area (TPSA) of 42.25 Ų, 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile 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
Frequently Asked Questions
What is the CAS number of 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile?
The CAS number of 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile is 215732-94-8.
What is the molecular formula of 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile?
The molecular formula of 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile is C9H3F4NO2.
What is the molecular weight of 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile?
The molecular weight of 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile is 233.01 g/mol.
Where can I buy 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile?
You can request a quote for 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3,3-Tetrafluoro-1,4-benzodioxane-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.