![1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene structure](/static/products/3146/31463-45-3.webp)
1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene
TL;DR: 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene (CAS 31463-45-3) is a chemical compound with molecular formula C9H6F6 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7,7,8,8-hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene
Also Known As: 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene, Bicyclo[2.2.2]octa-2,5-diene, 1,4,7,7,8,8-hexafluoro-2-methyl-, 1,2,2,3,3,4-hexafluoro-5-methylbicyclo[2.2.2]octa-5,7-diene, 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene #
| Molecular Formula | C9H6F6 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.03737 |
| Heavy Atoms | 15 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 31463-45-3 |
|---|---|
| SMILES | CC1=CC2(C=CC1(C(C2(F)F)(F)F)F)F |
| InChIKey | LYYOGCPHYMLJNU-UHFFFAOYSA-N |
Product Overview
1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene (CAS 31463-45-3), with molecular formula C9H6F6 and molecular weight 228.04 g/mol. IUPAC: 1,4,7,7,8,8-hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene.
Chemical Property Profile of 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene
Property Insights of 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene 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
Frequently Asked Questions
What is the CAS number of 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene?
The CAS number of 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene is 31463-45-3.
What is the molecular formula of 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene?
The molecular formula of 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene is C9H6F6.
What is the molecular weight of 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene?
The molecular weight of 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene is 228.04 g/mol.
Where can I buy 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene?
You can request a quote for 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.