![1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene structure](/static/products/811/81186-95-0.png)
1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene
TL;DR: 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene (CAS 81186-95-0) is a chemical compound with molecular formula C21H17F3O and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[diphenyl(2,2,2-trifluoroethoxy)methyl]benzene
Also Known As: KST-1B8730, 1,1',1''-[(2,2,2-trifluoroethoxy)methanetriyl]tribenzene, [diphenyl(2,2,2-trifluoroethoxy)methyl]benzene, [Diphenyl-(2,2,2-trifluoroethoxy)methyl]benzene
| Molecular Formula | C21H17F3O |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.12314 |
| Heavy Atoms | 25 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 81186-95-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(F)(F)F |
| InChIKey | YZHDKIHFTVSYDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene (CAS 81186-95-0), with molecular formula C21H17F3O and molecular weight 342.12 g/mol. IUPAC: [diphenyl(2,2,2-trifluoroethoxy)methyl]benzene.
Chemical Property Profile of 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene
Property Insights of 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene
The XLogP value of 5.9 indicates that 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene?
The CAS number of 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene is 81186-95-0.
What is the molecular formula of 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene?
The molecular formula of 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene is C21H17F3O.
What is the molecular weight of 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene?
The molecular weight of 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene is 342.12 g/mol.
Where can I buy 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene?
You can request a quote for 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,1',1''-[(2,2,2-Trifluoroethoxy)methanetriyl]tribenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.