5-(trifluoromethyl)-1H-indole
TL;DR: 5-(trifluoromethyl)-1H-indole (CAS 100846-24-0) is a chemical compound with molecular formula C9H6F3N and molecular weight 185.04523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(trifluoromethyl)-1H-indole
Also Known As: 5-(TRIFLUOROMETHYL)INDOLE, 5-(trifluoromethyl)-1H-indole, 5-Trifluoromethylindole, null, 1H-Indole, 5-(trifluoromethyl)-
Technical Specifications
| Molecular Formula | C9H6F3N |
| Molecular Weight | 185.04523 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.04523 Da |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
| SMILES | C1=CC2=C(C=CN2)C=C1C(F)(F)F |
| InChIKey | LCFDJWUYKUPBJM-UHFFFAOYSA-N |
Chemical Property Profile of 5-(trifluoromethyl)-1H-indole
Property Insights of 5-(trifluoromethyl)-1H-indole
The XLogP value of 3.2 indicates that 5-(trifluoromethyl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.8 Ų, 5-(trifluoromethyl)-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(trifluoromethyl)-1H-indole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(trifluoromethyl)-1H-indole?
The CAS number of 5-(trifluoromethyl)-1H-indole is 100846-24-0.
What is the molecular formula of 5-(trifluoromethyl)-1H-indole?
The molecular formula of 5-(trifluoromethyl)-1H-indole is C9H6F3N.
What is the molecular weight of 5-(trifluoromethyl)-1H-indole?
The molecular weight of 5-(trifluoromethyl)-1H-indole is 185.04523 g/mol.
Where can I buy 5-(trifluoromethyl)-1H-indole?
You can request a quote for 5-(trifluoromethyl)-1H-indole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(trifluoromethyl)-1H-indole?
Yes, CoreyChem provides custom synthesis services for 5-(trifluoromethyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.