2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile
TL;DR: 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile (CAS 135132-34-2) is a chemical compound with molecular formula C8H3F2NO2 and molecular weight 183.01318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-difluoro-1,3-benzodioxole-5-carbonitrile
Also Known As: 5-Cyano-2,2-difluoro-1,3-benzodioxole, 2,2-Difluorobenzo[d][1,3]dioxole-5-carbonitrile, 5-cyano, 2,2-difluoro-1,3-benzodioxole-5-carbonitrile, 2,2-difluoro-5-cyano-1,3-benzodioxole
Technical Specifications
| Molecular Formula | C8H3F2NO2 |
| Molecular Weight | 183.01318 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.01318 Da |
| Heavy Atoms | 13 |
| Complexity | 260.0 |
| SMILES | C1=CC2=C(C=C1C#N)OC(O2)(F)F |
| InChIKey | VMJNTFXCTXAXTC-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile
Property Insights of 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile?
The CAS number of 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile is 135132-34-2.
What is the molecular formula of 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile?
The molecular formula of 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile is C8H3F2NO2.
What is the molecular weight of 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile?
The molecular weight of 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile is 183.01318 g/mol.
Where can I buy 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile?
You can request a quote for 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.