2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline
TL;DR: 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline (CAS 664997-23-3) is a chemical compound with molecular formula C11H9F3N2 and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyrrol-1-yl-5-(trifluoromethyl)aniline
Also Known As: 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline, 2-pyrrol-1-yl-5-(trifluoromethyl)aniline, 2-(pyrrol-1-yl)-5-(trifluoromethyl)aniline, 2-pyrrolyl-5-(trifluoromethyl)phenylamine, 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)Benzenamine
| Molecular Formula | C11H9F3N2 |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 3.0783 |
| Topological Polar Surface Area | 30.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 226.07178 |
| Heavy Atoms | 16 |
| Complexity | 486.42593 |
Chemical Identifiers
| CAS Number | 664997-23-3 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(C=C(C=C2)C(F)(F)F)N |
Product Overview
2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline (CAS 664997-23-3), with molecular formula C11H9F3N2 and molecular weight 226.07 g/mol. IUPAC: 2-pyrrol-1-yl-5-(trifluoromethyl)aniline.
Chemical Property Profile of 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline
Property Insights of 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline
The XLogP value of 3.0783 indicates that 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.95 Ų, 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 1 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-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline?
The CAS number of 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline is 664997-23-3.
What is the molecular formula of 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline?
The molecular formula of 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline is C11H9F3N2.
What is the molecular weight of 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline?
The molecular weight of 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline is 226.07 g/mol.
Where can I buy 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline?
You can request a quote for 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.