2-Fluoro-4-(trifluoromethyl)benzamide
TL;DR: 2-Fluoro-4-(trifluoromethyl)benzamide (CAS 116632-39-4) is a chemical compound with molecular formula C8H5F4NO and molecular weight 207.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-4-(trifluoromethyl)benzamide
Also Known As: 2-Fluoro-4-(trifluoromethyl)benzamide, 5-Bromo-2-iodotoluene, Benzamide, 2-fluoro-4-(trifluoromethyl)-, 2-fluoro-4-trifluoromethylbenzamide, 2-FLUORO-4- BENZAMIDE
| Molecular Formula | C8H5F4NO |
|---|---|
| Molecular Weight | 207.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.03073 |
| Heavy Atoms | 14 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 116632-39-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)F)C(=O)N |
| InChIKey | BQNZIRSNAKWERJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluoro-4-(trifluoromethyl)benzamide (CAS 116632-39-4), with molecular formula C8H5F4NO and molecular weight 207.03 g/mol. IUPAC: 2-fluoro-4-(trifluoromethyl)benzamide.
Chemical Property Profile of 2-Fluoro-4-(trifluoromethyl)benzamide
Property Insights of 2-Fluoro-4-(trifluoromethyl)benzamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-4-(trifluoromethyl)benzamide. With a topological polar surface area (TPSA) of 43.1 Ų, 2-Fluoro-4-(trifluoromethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4-(trifluoromethyl)benzamide has 1 hydrogen bond donor(s) and 5 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-Fluoro-4-(trifluoromethyl)benzamide?
The CAS number of 2-Fluoro-4-(trifluoromethyl)benzamide is 116632-39-4.
What is the molecular formula of 2-Fluoro-4-(trifluoromethyl)benzamide?
The molecular formula of 2-Fluoro-4-(trifluoromethyl)benzamide is C8H5F4NO.
What is the molecular weight of 2-Fluoro-4-(trifluoromethyl)benzamide?
The molecular weight of 2-Fluoro-4-(trifluoromethyl)benzamide is 207.03 g/mol.
Where can I buy 2-Fluoro-4-(trifluoromethyl)benzamide?
You can request a quote for 2-Fluoro-4-(trifluoromethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-4-(trifluoromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-4-(trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.