2',5'-Bis(trifluoromethyl)acetophenone
TL;DR: 2',5'-Bis(trifluoromethyl)acetophenone (CAS 545410-47-7) is a chemical compound with molecular formula C10H6F6O and molecular weight 256.0323 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,5-bis(trifluoromethyl)phenyl]ethanone
Also Known As: 2',5'-bis(trifluoromethyl)acetophenone, 2,5-Bis(trifluoromethyl)acetophenone, 1-(2,5-Bis(trifluoromethyl)phenyl)ethanone, 1-[2,5-bis(trifluoromethyl)phenyl]ethanone, 2,5-bis ACETOPHENONE
Technical Specifications
| Molecular Formula | C10H6F6O |
| Molecular Weight | 256.0323 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0323 Da |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
| SMILES | CC(=O)C1=C(C=CC(=C1)C(F)(F)F)C(F)(F)F |
| InChIKey | ZBIHDCGAPRWDOA-UHFFFAOYSA-N |
Chemical Property Profile of 2',5'-Bis(trifluoromethyl)acetophenone
Property Insights of 2',5'-Bis(trifluoromethyl)acetophenone
The XLogP value of 3.4 indicates that 2',5'-Bis(trifluoromethyl)acetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2',5'-Bis(trifluoromethyl)acetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2',5'-Bis(trifluoromethyl)acetophenone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2',5'-Bis(trifluoromethyl)acetophenone?
The CAS number of 2',5'-Bis(trifluoromethyl)acetophenone is 545410-47-7.
What is the molecular formula of 2',5'-Bis(trifluoromethyl)acetophenone?
The molecular formula of 2',5'-Bis(trifluoromethyl)acetophenone is C10H6F6O.
What is the molecular weight of 2',5'-Bis(trifluoromethyl)acetophenone?
The molecular weight of 2',5'-Bis(trifluoromethyl)acetophenone is 256.0323 g/mol.
Where can I buy 2',5'-Bis(trifluoromethyl)acetophenone?
You can request a quote for 2',5'-Bis(trifluoromethyl)acetophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2',5'-Bis(trifluoromethyl)acetophenone?
Yes, CoreyChem provides custom synthesis services for 2',5'-Bis(trifluoromethyl)acetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.