2-三氟甲基咪唑
TL;DR: 2-三氟甲基咪唑 (CAS 66675-22-7) is a chemical compound with molecular formula C4H3F3N2 and molecular weight 136.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-三氟甲基咪唑
2-(trifluoromethyl)-1H-imidazole
Also Known As: 2-(Trifluoromethyl)-1H-imidazole, 2-(trifluoromethyl)imidazole, 1H-Imidazole, 2-(trifluoromethyl)-, 2-trifluoromethylimidazole, 2-Trifluormethylimidazol
| Molecular Formula | C4H3F3N2 |
|---|---|
| Molecular Weight | 136.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.02483 |
| Heavy Atoms | 9 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 66675-22-7 |
|---|---|
| SMILES | C1=CN=C(N1)C(F)(F)F |
| InChIKey | KJMXVHBTWJSSBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-三氟甲基咪唑 (CAS 66675-22-7), with molecular formula C4H3F3N2 and molecular weight 136.02 g/mol. IUPAC: 2-(trifluoromethyl)-1H-imidazole.
Chemical Property Profile of 2-三氟甲基咪唑
Property Insights of 2-三氟甲基咪唑
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-三氟甲基咪唑. With a topological polar surface area (TPSA) of 28.7 Ų, 2-三氟甲基咪唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-三氟甲基咪唑 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 2-三氟甲基咪唑?
The CAS number of 2-三氟甲基咪唑 is 66675-22-7.
What is the molecular formula of 2-三氟甲基咪唑?
The molecular formula of 2-三氟甲基咪唑 is C4H3F3N2.
What is the molecular weight of 2-三氟甲基咪唑?
The molecular weight of 2-三氟甲基咪唑 is 136.02 g/mol.
Where can I buy 2-三氟甲基咪唑?
You can request a quote for 2-三氟甲基咪唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-三氟甲基咪唑?
Yes, KEHONG BIO provides custom synthesis services for 2-三氟甲基咪唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.