2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide
TL;DR: 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide (CAS 1939-29-3) is a chemical compound with molecular formula C9H5Cl3F3NO and molecular weight 304.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2,2,2-Trichloro-3'-trifluoromethylacetanilide, 4-Bromo-3-nitro pyrazole, 2,2,2-Trichloro-N-[3-(trifluoromethyl)phenyl]acetamide, 2,2,2-Trichloro-3/'-trifluoromethylacetanilide, 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide
| Molecular Formula | C9H5Cl3F3NO |
|---|---|
| Molecular Weight | 304.94 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.93887 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 1939-29-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C(Cl)(Cl)Cl)C(F)(F)F |
| InChIKey | KQIOOEOHDXWXQY-UHFFFAOYSA-N |
Product Overview
2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide (CAS 1939-29-3), with molecular formula C9H5Cl3F3NO and molecular weight 304.94 g/mol. IUPAC: 2,2,2-trichloro-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide
Property Insights of 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide
The XLogP value of 4.4 indicates that 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide has 1 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 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide?
The CAS number of 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide is 1939-29-3.
What is the molecular formula of 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide?
The molecular formula of 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide is C9H5Cl3F3NO.
What is the molecular weight of 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide?
The molecular weight of 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide is 304.94 g/mol.
Where can I buy 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide?
You can request a quote for 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide 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-Trichloro-3'-(trifluoromethyl)acetanilide?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloro-3'-(trifluoromethyl)acetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.