1-(3-Chlorophenyl)-2,2,2-trifluoroethanone
TL;DR: 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone (CAS 321-31-3) is a chemical compound with molecular formula C8H4ClF3O and molecular weight 207.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chlorophenyl)-2,2,2-trifluoroethanone
Also Known As: 1-(3-chlorophenyl)-2,2,2-trifluoroethanone, 3'-Chloro-2,2,2-trifluoroacetophenone, 1-(3-chlorophenyl)-2,2,2-trifluoroethan-1-one, Benzene, 1-chloro-3-trifluoroacetyl, m-chloro-I,I,I-trifluoroacetophenone
| Molecular Formula | C8H4ClF3O |
|---|---|
| Molecular Weight | 207.99 g/mol |
| LogP | 3.085 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.99028 |
| Heavy Atoms | 13 |
| Complexity | 332.4062 |
Chemical Identifiers
| CAS Number | 321-31-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)C(F)(F)F |
Product Overview
1-(3-Chlorophenyl)-2,2,2-trifluoroethanone (CAS 321-31-3), with molecular formula C8H4ClF3O and molecular weight 207.99 g/mol. IUPAC: 1-(3-chlorophenyl)-2,2,2-trifluoroethanone.
Chemical Property Profile of 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone
Property Insights of 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone
The XLogP value of 3.085 indicates that 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone 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 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone?
The CAS number of 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone is 321-31-3.
What is the molecular formula of 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone?
The molecular formula of 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone is C8H4ClF3O.
What is the molecular weight of 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone?
The molecular weight of 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone is 207.99 g/mol.
Where can I buy 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone?
You can request a quote for 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorophenyl)-2,2,2-trifluoroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.