4-(Trifluoromethyl)benzamide
TL;DR: 4-(Trifluoromethyl)benzamide (CAS 1891-90-3) is a chemical compound with molecular formula C8H6F3NO and molecular weight 189.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(trifluoromethyl)benzamide
Also Known As: 4-(Trifluoromethyl)benzamide, p-(Trifluoromethyl)benzamide, Benzamide, 4-(trifluoromethyl)-, P-TRIFLUOROMETHYLBENZAMIDE, Fluvoxamine impurity 41
| Molecular Formula | C8H6F3NO |
|---|---|
| Molecular Weight | 189.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.04015 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 1891-90-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N)C(F)(F)F |
| InChIKey | WEJHBEDHLLBJFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Trifluoromethyl)benzamide (CAS 1891-90-3), with molecular formula C8H6F3NO and molecular weight 189.04 g/mol. IUPAC: 4-(trifluoromethyl)benzamide.
Chemical Property Profile of 4-(Trifluoromethyl)benzamide
Property Insights of 4-(Trifluoromethyl)benzamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Trifluoromethyl)benzamide. With a topological polar surface area (TPSA) of 43.1 Ų, 4-(Trifluoromethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)benzamide 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 4-(Trifluoromethyl)benzamide?
The CAS number of 4-(Trifluoromethyl)benzamide is 1891-90-3.
What is the molecular formula of 4-(Trifluoromethyl)benzamide?
The molecular formula of 4-(Trifluoromethyl)benzamide is C8H6F3NO.
What is the molecular weight of 4-(Trifluoromethyl)benzamide?
The molecular weight of 4-(Trifluoromethyl)benzamide is 189.04 g/mol.
Where can I buy 4-(Trifluoromethyl)benzamide?
You can request a quote for 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 4-(Trifluoromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.