5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
TL;DR: 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole (CAS 81790-01-4) is a chemical compound with molecular formula C6H3F7N2 and molecular weight 236.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
Also Known As: Imidazole, 4-heptafluoroisopropyl-, 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole, 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1h-imidazole, 4-[1,2,2,2-Tetrafluoro-1-(trifluoromethyl)ethyl]-1H-imidazole #
| Molecular Formula | C6H3F7N2 |
|---|---|
| Molecular Weight | 236.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.01845 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 81790-01-4 |
|---|---|
| SMILES | C1=C(NC=N1)C(C(F)(F)F)(C(F)(F)F)F |
| InChIKey | WHCXBYPPHAFLJW-UHFFFAOYSA-N |
Product Overview
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole (CAS 81790-01-4), with molecular formula C6H3F7N2 and molecular weight 236.02 g/mol. IUPAC: 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole.
Chemical Property Profile of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
Property Insights of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole. With a topological polar surface area (TPSA) of 28.7 Ų, 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole has 1 hydrogen bond donor(s) and 8 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 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole?
The CAS number of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole is 81790-01-4.
What is the molecular formula of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole?
The molecular formula of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole is C6H3F7N2.
What is the molecular weight of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole?
The molecular weight of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole is 236.02 g/mol.
Where can I buy 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole?
You can request a quote for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.