1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole
TL;DR: 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole (CAS 111185-41-2) is a chemical compound with molecular formula C6H6F3NO and molecular weight 165.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dihydropyrrol-1-yl)-2,2,2-trifluoroethanone
Also Known As: 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole, 1-trifluoroacetyl-3-pyrroline, 1-(2,5-Dihydro-1H-pyrrol-1-yl)-2,2,2-trifluoroethanone, 1-(Trifluoroacetyl)-3-pyrroline, 1-(2,5-dihydropyrrol-1-yl)-2,2,2-trifluoroethanone
| Molecular Formula | C6H6F3NO |
|---|---|
| Molecular Weight | 165.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.04015 |
| Heavy Atoms | 11 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 111185-41-2 |
|---|---|
| SMILES | C1C=CCN1C(=O)C(F)(F)F |
| InChIKey | LMPPMSXOYNPRQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole (CAS 111185-41-2), with molecular formula C6H6F3NO and molecular weight 165.04 g/mol. IUPAC: 1-(2,5-dihydropyrrol-1-yl)-2,2,2-trifluoroethanone.
Chemical Property Profile of 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole
Property Insights of 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole has 0 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 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole?
The CAS number of 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole is 111185-41-2.
What is the molecular formula of 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole?
The molecular formula of 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole is C6H6F3NO.
What is the molecular weight of 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole?
The molecular weight of 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole is 165.04 g/mol.
Where can I buy 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole?
You can request a quote for 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(trifluoroacetyl)-2,5-dihydro-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.