Pyrrole, 1-methyl-2-(trifluoromethyl)-
TL;DR: Pyrrole, 1-methyl-2-(trifluoromethyl)- (CAS 67095-61-8) is a chemical compound with molecular formula C6H6F3N and molecular weight 149.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-(trifluoromethyl)pyrrole
Also Known As: Pyrrole, 1-methyl-2-(trifluoromethyl)-, 1-methyl-2-(trifluoromethyl)pyrrole, 1-Methyl-2-trifluoromethyl-1H-pyrrole, 1H-Pyrrole, 1-methyl-2-(trifluoromethyl)-, 1-Methyl-2-(trifluoromethyl)-1H-pyrrole
| Molecular Formula | C6H6F3N |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 4.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.04523 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 67095-61-8 |
|---|---|
| SMILES | CN1C=CC=C1C(F)(F)F |
| InChIKey | POYGQTHRUFGPKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrrole, 1-methyl-2-(trifluoromethyl)- (CAS 67095-61-8), with molecular formula C6H6F3N and molecular weight 149.05 g/mol. IUPAC: 1-methyl-2-(trifluoromethyl)pyrrole.
Chemical Property Profile of Pyrrole, 1-methyl-2-(trifluoromethyl)-
Property Insights of Pyrrole, 1-methyl-2-(trifluoromethyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole, 1-methyl-2-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 4.9 Ų, Pyrrole, 1-methyl-2-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrole, 1-methyl-2-(trifluoromethyl)- has 0 hydrogen bond donor(s) and 3 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 Pyrrole, 1-methyl-2-(trifluoromethyl)-?
The CAS number of Pyrrole, 1-methyl-2-(trifluoromethyl)- is 67095-61-8.
What is the molecular formula of Pyrrole, 1-methyl-2-(trifluoromethyl)-?
The molecular formula of Pyrrole, 1-methyl-2-(trifluoromethyl)- is C6H6F3N.
What is the molecular weight of Pyrrole, 1-methyl-2-(trifluoromethyl)-?
The molecular weight of Pyrrole, 1-methyl-2-(trifluoromethyl)- is 149.05 g/mol.
Where can I buy Pyrrole, 1-methyl-2-(trifluoromethyl)-?
You can request a quote for Pyrrole, 1-methyl-2-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrole, 1-methyl-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole, 1-methyl-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.