2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol
TL;DR: 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol (CAS 160733-19-7) is a chemical compound with molecular formula C9H6F11NO and molecular weight 353.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-5,5-bis(trifluoromethyl)-3H-pyrrol-4-ol
Also Known As: 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol, 2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-5,5-bis(trifluoromethyl)-3H-pyrrol-4-ol, 4-hydroxy-2-methyl-4-pentafluoroethyl-5,5-bis(trifluoromethyl)-4,5-dihydro-3h-pyrrole, 5-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-2,2-bis(trifluoromethyl)-3,4-dihydro-2H-pyrrol-3-ol #
| Molecular Formula | C9H6F11NO |
|---|---|
| Molecular Weight | 353.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 1 |
| Exact Mass | 353.02737 |
| Heavy Atoms | 22 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 160733-19-7 |
|---|---|
| SMILES | CC1=NC(C(C1)(C(C(F)(F)F)(F)F)O)(C(F)(F)F)C(F)(F)F |
| InChIKey | OSIQVZHTMDXYSC-UHFFFAOYSA-N |
Product Overview
2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol (CAS 160733-19-7), with molecular formula C9H6F11NO and molecular weight 353.03 g/mol. IUPAC: 2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-5,5-bis(trifluoromethyl)-3H-pyrrol-4-ol.
Chemical Property Profile of 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol
Property Insights of 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol. With a topological polar surface area (TPSA) of 32.6 Ų, 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol?
The CAS number of 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol is 160733-19-7.
What is the molecular formula of 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol?
The molecular formula of 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol is C9H6F11NO.
What is the molecular weight of 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol?
The molecular weight of 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol is 353.03 g/mol.
Where can I buy 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol?
You can request a quote for 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-pentafluoroethyl-5,5-di(trifluoromethyl)-1-pyrrolin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.