2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone
TL;DR: 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone (CAS 721-37-9) is a chemical compound with molecular formula C9H4F6O and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
Also Known As: 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone, 2,2,2-Trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone, 2,2,2-Trifluoro-1-(3-(trifluoromethyl)phenyl)ethanone, 3-Trifluoromethyltrifluoroacetophenone, 3-(Trifluoroacetyl)benzotrifluoride
| Molecular Formula | C9H4F6O |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.01663 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 721-37-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)C(F)(F)F |
| InChIKey | MDCHHRZBYSSONX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone (CAS 721-37-9), with molecular formula C9H4F6O and molecular weight 242.02 g/mol. IUPAC: 2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone.
Chemical Property Profile of 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone
Property Insights of 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone
The XLogP value of 3.6 indicates that 2,2,2-Trifluoro-3'-(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, 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoro-3'-(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
Frequently Asked Questions
What is the CAS number of 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone?
The CAS number of 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone is 721-37-9.
What is the molecular formula of 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone?
The molecular formula of 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone is C9H4F6O.
What is the molecular weight of 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone?
The molecular weight of 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone is 242.02 g/mol.
Where can I buy 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone?
You can request a quote for 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.