![2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide structure](/static/products/5058/50580-77-3.webp)
2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
TL;DR: 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide (CAS 50580-77-3) is a chemical compound with molecular formula C7H8F3N3O and molecular weight 207.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
Also Known As: N-trifluoroacetylhistamine, Histamine, N-trifluoroacetyl, Histamine,N-trifluoroacetyl, a-N-Trifluoroacetyl-histamine, 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
| Molecular Formula | C7H8F3N3O |
|---|---|
| Molecular Weight | 207.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.06195 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 50580-77-3 |
|---|---|
| SMILES | C1=C(NC=N1)CCNC(=O)C(F)(F)F |
| InChIKey | PXVLTDFDQSOFMJ-UHFFFAOYSA-N |
Product Overview
2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide (CAS 50580-77-3), with molecular formula C7H8F3N3O and molecular weight 207.06 g/mol. IUPAC: 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide.
Chemical Property Profile of 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
Property Insights of 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide. With a topological polar surface area (TPSA) of 57.8 Ų, 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide has 2 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 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The CAS number of 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide is 50580-77-3.
What is the molecular formula of 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The molecular formula of 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide is C7H8F3N3O.
What is the molecular weight of 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The molecular weight of 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide is 207.06 g/mol.
Where can I buy 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
You can request a quote for 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide 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-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trifluoro-N-[2-(1H-imidazol-5-yl)ethyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.