Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)-
TL;DR: Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)- (CAS 2557-70-2) is a chemical compound with molecular formula C6H4F3NO and molecular weight 163.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanone
Also Known As: 2-(Trifluoroacetyl)pyrrole, penciclovir, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanone, trifluoroacetylpyrrole, 2-(Trifluoroacetyl)-1H-pyrrole
| Molecular Formula | C6H4F3NO |
|---|---|
| Molecular Weight | 163.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.0245 |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 2557-70-2 |
|---|---|
| SMILES | C1=CNC(=C1)C(=O)C(F)(F)F |
| InChIKey | UMVVPYXSJKIFST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)- (CAS 2557-70-2), with molecular formula C6H4F3NO and molecular weight 163.02 g/mol. IUPAC: 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanone.
Chemical Property Profile of Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)-
Property Insights of Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)-. With a topological polar surface area (TPSA) of 32.9 Ų, Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)- 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 Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)-?
The CAS number of Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)- is 2557-70-2.
What is the molecular formula of Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)-?
The molecular formula of Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)- is C6H4F3NO.
What is the molecular weight of Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)-?
The molecular weight of Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)- is 163.02 g/mol.
Where can I buy Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)-?
You can request a quote for Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.