7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene
TL;DR: 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene (CAS 714-82-9) 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.
7,7-bis(trifluoromethyl)cyclohepta-1,3,5-triene
Also Known As: 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene, 7,7-Bis -1,3,5-cycloheptatriene, 7,7-bis(trifluoromethyl)cyclohepta-1,3,5-triene, 7.7-Bis-trifluormethyl-cycloheptatrien, 1,3,5-Cycloheptatriene, 7,7-bis(trifluoromethyl)-
| Molecular Formula | C9H6F6 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 4.7 |
| 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 | 282.0 |
Chemical Identifiers
| CAS Number | 714-82-9 |
|---|---|
| SMILES | C1=CC=CC(C=C1)(C(F)(F)F)C(F)(F)F |
| InChIKey | MKLGWIKAESRGRL-UHFFFAOYSA-N |
Product Overview
7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene (CAS 714-82-9), with molecular formula C9H6F6 and molecular weight 228.04 g/mol. IUPAC: 7,7-bis(trifluoromethyl)cyclohepta-1,3,5-triene.
Chemical Property Profile of 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene
Property Insights of 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene
The XLogP value of 4.7 indicates that 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene 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 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene?
The CAS number of 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene is 714-82-9.
What is the molecular formula of 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene?
The molecular formula of 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene is C9H6F6.
What is the molecular weight of 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene?
The molecular weight of 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene is 228.04 g/mol.
Where can I buy 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene?
You can request a quote for 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene?
Yes, KEHONG BIO provides custom synthesis services for 7,7-Bis(trifluoromethyl)-1,3,5-cycloheptatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.