Acetophenone, 2-chloro-5-trifluoromethyl-
TL;DR: Acetophenone, 2-chloro-5-trifluoromethyl- (CAS 71648-45-8) 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-[2-chloro-5-(trifluoromethyl)phenyl]ethanone
Also Known As: 2'-Chloro-5'-(trifluoromethyl)acetophenone, 1-(2-chloro-5-(trifluoromethyl)phenyl)ethanone, 1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone, 2-Chloro-5-(trifluoromethyl)acetophenone, 3-Acetyl-4-chlorobenzotrifluoride
| Molecular Formula | C9H6ClF3O |
|---|---|
| Molecular Weight | 222.01 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.00592 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 71648-45-8 |
|---|---|
| SMILES | CC(=O)C1=C(C=CC(=C1)C(F)(F)F)Cl |
| InChIKey | YRGBMTWHOFQSDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetophenone, 2-chloro-5-trifluoromethyl- (CAS 71648-45-8), with molecular formula C9H6ClF3O and molecular weight 222.01 g/mol. IUPAC: 1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone.
Chemical Property Profile of Acetophenone, 2-chloro-5-trifluoromethyl-
Property Insights of Acetophenone, 2-chloro-5-trifluoromethyl-
The XLogP value of 3.1 indicates that Acetophenone, 2-chloro-5-trifluoromethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Acetophenone, 2-chloro-5-trifluoromethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetophenone, 2-chloro-5-trifluoromethyl- has 0 hydrogen bond donor(s) and 4 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 Acetophenone, 2-chloro-5-trifluoromethyl-?
The CAS number of Acetophenone, 2-chloro-5-trifluoromethyl- is 71648-45-8.
What is the molecular formula of Acetophenone, 2-chloro-5-trifluoromethyl-?
The molecular formula of Acetophenone, 2-chloro-5-trifluoromethyl- is C9H6ClF3O.
What is the molecular weight of Acetophenone, 2-chloro-5-trifluoromethyl-?
The molecular weight of Acetophenone, 2-chloro-5-trifluoromethyl- is 222.01 g/mol.
Where can I buy Acetophenone, 2-chloro-5-trifluoromethyl-?
You can request a quote for Acetophenone, 2-chloro-5-trifluoromethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone, 2-chloro-5-trifluoromethyl-?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 2-chloro-5-trifluoromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.