1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one
TL;DR: 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one (CAS 76784-40-2) is a chemical compound with molecular formula C12H10F6O3 and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]ethanone
Also Known As: 1-(2,5-bis(2,2,2-trifluoroethoxy)phenyl)ethanone, 1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]ethanone, EINECS 278-549-2, 2',5'-Bis(2,2,2-trifluoroethoxy)acetophenone, 3138AH
| Molecular Formula | C12H10F6O3 |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 3.7714 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.0534 |
| Heavy Atoms | 21 |
| Complexity | 506.69473 |
Chemical Identifiers
| CAS Number | 76784-40-2 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F |
Product Overview
1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one (CAS 76784-40-2), with molecular formula C12H10F6O3 and molecular weight 316.05 g/mol. IUPAC: 1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]ethanone.
Chemical Property Profile of 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one
Property Insights of 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one
The XLogP value of 3.7714 indicates that 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one has 0 hydrogen bond donor(s) and 3 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-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one?
The CAS number of 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one is 76784-40-2.
What is the molecular formula of 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one?
The molecular formula of 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one is C12H10F6O3.
What is the molecular weight of 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one?
The molecular weight of 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one is 316.05 g/mol.
Where can I buy 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one?
You can request a quote for 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one 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-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-Bis(2,2,2-trifluoroethoxy)phenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.