3,4-bis(trifluoromethyl)-1H-pyrrole
TL;DR: 3,4-bis(trifluoromethyl)-1H-pyrrole (CAS 82912-41-2) is a chemical compound with molecular formula C6H3F6N and molecular weight 203.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(trifluoromethyl)-1H-pyrrole
Also Known As: 3,4-bis(trifluoromethyl)-1H-pyrrole, starbld0049323, 3,4-bis(trifluoromethyl)pyrrole, 3,4-bis(trifluormethyl)-1H-pyrrol, 1H-Pyrrole, 3,4-bis(trifluoromethyl)-
| Molecular Formula | C6H3F6N |
|---|---|
| Molecular Weight | 203.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.01697 |
| Heavy Atoms | 13 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 82912-41-2 |
|---|---|
| SMILES | C1=C(C(=CN1)C(F)(F)F)C(F)(F)F |
| InChIKey | MEXIJEVOUWNEMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-bis(trifluoromethyl)-1H-pyrrole (CAS 82912-41-2), with molecular formula C6H3F6N and molecular weight 203.02 g/mol. IUPAC: 3,4-bis(trifluoromethyl)-1H-pyrrole.
Chemical Property Profile of 3,4-bis(trifluoromethyl)-1H-pyrrole
Property Insights of 3,4-bis(trifluoromethyl)-1H-pyrrole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-bis(trifluoromethyl)-1H-pyrrole. With a topological polar surface area (TPSA) of 15.8 Ų, 3,4-bis(trifluoromethyl)-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-bis(trifluoromethyl)-1H-pyrrole has 1 hydrogen bond donor(s) and 6 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 3,4-bis(trifluoromethyl)-1H-pyrrole?
The CAS number of 3,4-bis(trifluoromethyl)-1H-pyrrole is 82912-41-2.
What is the molecular formula of 3,4-bis(trifluoromethyl)-1H-pyrrole?
The molecular formula of 3,4-bis(trifluoromethyl)-1H-pyrrole is C6H3F6N.
What is the molecular weight of 3,4-bis(trifluoromethyl)-1H-pyrrole?
The molecular weight of 3,4-bis(trifluoromethyl)-1H-pyrrole is 203.02 g/mol.
Where can I buy 3,4-bis(trifluoromethyl)-1H-pyrrole?
You can request a quote for 3,4-bis(trifluoromethyl)-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-bis(trifluoromethyl)-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 3,4-bis(trifluoromethyl)-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.