2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone
TL;DR: 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone (CAS 18087-62-2) is a chemical compound with molecular formula C7H6F3NO and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanone
Also Known As: 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone, 1-methyl-2-trifluoroacetylpyrrole, n-methyl-2-trifluoroacetopyrrol, 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one, 1-methyl-2-trifluoroacetyl-pyrrole
| Molecular Formula | C7H6F3NO |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.7701 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.04015 |
| Heavy Atoms | 12 |
| Complexity | 299.84528 |
Chemical Identifiers
| CAS Number | 18087-62-2 |
|---|---|
| SMILES | CN1C=CC=C1C(=O)C(F)(F)F |
Product Overview
2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone (CAS 18087-62-2), with molecular formula C7H6F3NO and molecular weight 177.04 g/mol. IUPAC: 2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanone.
Chemical Property Profile of 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone
Property Insights of 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone
The XLogP value of 1.7701 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone. With a topological polar surface area (TPSA) of 22.0 Ų, 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone has 0 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 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone?
The CAS number of 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone is 18087-62-2.
What is the molecular formula of 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone?
The molecular formula of 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone is C7H6F3NO.
What is the molecular weight of 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone?
The molecular weight of 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone is 177.04 g/mol.
Where can I buy 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone?
You can request a quote for 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.