2,2,5-Trifluoro-1,3-benzodioxole
TL;DR: 2,2,5-Trifluoro-1,3-benzodioxole (CAS 656-43-9) is a chemical compound with molecular formula C7H3F3O2 and molecular weight 176.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,5-trifluoro-1,3-benzodioxole
Also Known As: 2,2,5-trifluoro-1,3-benzodioxole, 2,2,5-Trifluoro-1,3-dioxaindane, 2,2,5-Trifluorobenzo[d][1,3]dioxole, 1,3-Benzodioxole,2,2,5-trifluoro, 2,2,5-trifluoro-2H-1,3-benzodioxole
| Molecular Formula | C7H3F3O2 |
|---|---|
| Molecular Weight | 176.01 g/mol |
| LogP | 2.1472 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.00851 |
| Heavy Atoms | 12 |
| Complexity | 324.42758 |
Chemical Identifiers
| CAS Number | 656-43-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)OC(O2)(F)F |
Product Overview
2,2,5-Trifluoro-1,3-benzodioxole (CAS 656-43-9), with molecular formula C7H3F3O2 and molecular weight 176.01 g/mol. IUPAC: 2,2,5-trifluoro-1,3-benzodioxole.
Chemical Property Profile of 2,2,5-Trifluoro-1,3-benzodioxole
Property Insights of 2,2,5-Trifluoro-1,3-benzodioxole
The XLogP value of 2.1472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,5-Trifluoro-1,3-benzodioxole. With a topological polar surface area (TPSA) of 18.46 Ų, 2,2,5-Trifluoro-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,5-Trifluoro-1,3-benzodioxole has 0 hydrogen bond donor(s) and 2 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 2,2,5-Trifluoro-1,3-benzodioxole?
The CAS number of 2,2,5-Trifluoro-1,3-benzodioxole is 656-43-9.
What is the molecular formula of 2,2,5-Trifluoro-1,3-benzodioxole?
The molecular formula of 2,2,5-Trifluoro-1,3-benzodioxole is C7H3F3O2.
What is the molecular weight of 2,2,5-Trifluoro-1,3-benzodioxole?
The molecular weight of 2,2,5-Trifluoro-1,3-benzodioxole is 176.01 g/mol.
Where can I buy 2,2,5-Trifluoro-1,3-benzodioxole?
You can request a quote for 2,2,5-Trifluoro-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,5-Trifluoro-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 2,2,5-Trifluoro-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.