1-(Trifluoroacetyl)imidazole
TL;DR: 1-(Trifluoroacetyl)imidazole (CAS 1546-79-8) is a chemical compound with molecular formula C5H3F3N2O and molecular weight 164.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-imidazol-1-ylethanone
Also Known As: 1-(Trifluoroacetyl)imidazole, N-Trifluoroacetylimidazole, 1- imidazole, n-(trifluoroacetyl)imidazole, 1-(Trifluoroacetyl)-1H-imidazole
| Molecular Formula | C5H3F3N2O |
|---|---|
| Molecular Weight | 164.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.01974 |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 1546-79-8 |
|---|---|
| SMILES | C1=CN(C=N1)C(=O)C(F)(F)F |
| InChIKey | SINBGNJPYWNUQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Trifluoroacetyl)imidazole (CAS 1546-79-8), with molecular formula C5H3F3N2O and molecular weight 164.02 g/mol. IUPAC: 2,2,2-trifluoro-1-imidazol-1-ylethanone.
Chemical Property Profile of 1-(Trifluoroacetyl)imidazole
Property Insights of 1-(Trifluoroacetyl)imidazole
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Trifluoroacetyl)imidazole. With a topological polar surface area (TPSA) of 34.9 Ų, 1-(Trifluoroacetyl)imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Trifluoroacetyl)imidazole has 0 hydrogen bond donor(s) and 5 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)imidazole?
The CAS number of 1-(Trifluoroacetyl)imidazole is 1546-79-8.
What is the molecular formula of 1-(Trifluoroacetyl)imidazole?
The molecular formula of 1-(Trifluoroacetyl)imidazole is C5H3F3N2O.
What is the molecular weight of 1-(Trifluoroacetyl)imidazole?
The molecular weight of 1-(Trifluoroacetyl)imidazole is 164.02 g/mol.
Where can I buy 1-(Trifluoroacetyl)imidazole?
You can request a quote for 1-(Trifluoroacetyl)imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Trifluoroacetyl)imidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(Trifluoroacetyl)imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.