1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene
TL;DR: 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene (CAS 31462-68-7) is a chemical compound with molecular formula C8H6F6 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene
Also Known As: 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene, 1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene, 1,3-Cyclohexadiene, 1,2,5,5,6,6-hexafluoro-3,4-dimethyl-, 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene #, RefChem:215326
| Molecular Formula | C8H6F6 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.03737 |
| Heavy Atoms | 14 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 31462-68-7 |
|---|---|
| SMILES | CC1=C(C(C(C(=C1F)F)(F)F)(F)F)C |
| InChIKey | GYXWNOUHZDWTHT-UHFFFAOYSA-N |
Product Overview
1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene (CAS 31462-68-7), with molecular formula C8H6F6 and molecular weight 216.04 g/mol. IUPAC: 1,2,5,5,6,6-hexafluoro-3,4-dimethylcyclohexa-1,3-diene.
Chemical Property Profile of 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene
Property Insights of 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene 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 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene?
The CAS number of 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene is 31462-68-7.
What is the molecular formula of 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene?
The molecular formula of 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene is C8H6F6.
What is the molecular weight of 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene?
The molecular weight of 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene is 216.04 g/mol.
Where can I buy 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene?
You can request a quote for 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,5,5,6,6-Hexafluoro-3,4-dimethyl-1,3-cyclohexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.