4'-Chloro-3'-(trifluoromethyl)acetophenone
TL;DR: 4'-Chloro-3'-(trifluoromethyl)acetophenone (CAS 65796-00-1) is a chemical compound with molecular formula C9H6ClF3O and molecular weight 222.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-chloro-3-(trifluoromethyl)phenyl]ethanone
Also Known As: 4'-Chloro-3'-(trifluoromethyl)acetophenone, 4-Chloro-3-(trifluoromethyl)acetophenone, Not Available, 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanone, Intermediates-ZCF02003
| Molecular Formula | C9H6ClF3O |
|---|---|
| Molecular Weight | 222.01 g/mol |
| LogP | 3.5614 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.00592 |
| Heavy Atoms | 14 |
| Complexity | 370.8101 |
Chemical Identifiers
| CAS Number | 65796-00-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)Cl)C(F)(F)F |
Product Overview
4'-Chloro-3'-(trifluoromethyl)acetophenone (CAS 65796-00-1), with molecular formula C9H6ClF3O and molecular weight 222.01 g/mol. IUPAC: 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanone.
Chemical Property Profile of 4'-Chloro-3'-(trifluoromethyl)acetophenone
Property Insights of 4'-Chloro-3'-(trifluoromethyl)acetophenone
The XLogP value of 3.5614 indicates that 4'-Chloro-3'-(trifluoromethyl)acetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4'-Chloro-3'-(trifluoromethyl)acetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Chloro-3'-(trifluoromethyl)acetophenone has 0 hydrogen bond donor(s) and 1 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 4'-Chloro-3'-(trifluoromethyl)acetophenone?
The CAS number of 4'-Chloro-3'-(trifluoromethyl)acetophenone is 65796-00-1.
What is the molecular formula of 4'-Chloro-3'-(trifluoromethyl)acetophenone?
The molecular formula of 4'-Chloro-3'-(trifluoromethyl)acetophenone is C9H6ClF3O.
What is the molecular weight of 4'-Chloro-3'-(trifluoromethyl)acetophenone?
The molecular weight of 4'-Chloro-3'-(trifluoromethyl)acetophenone is 222.01 g/mol.
Where can I buy 4'-Chloro-3'-(trifluoromethyl)acetophenone?
You can request a quote for 4'-Chloro-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 4'-Chloro-3'-(trifluoromethyl)acetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Chloro-3'-(trifluoromethyl)acetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.