5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate
TL;DR: 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate (CAS 162553-39-1) is a chemical compound with molecular formula C12H14FNO and molecular weight 207.10594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-fluorophenyl)-2,2-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium
Also Known As: 7G-314S, 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate, 5-(4-fluorophenyl)-2,2-dimethyl-1-oxido-3,4-dihydropyrrol-1-ium, 5,5-Dimethyl-2-(4-fluorophenyl)-1-pyrroline 1-oxide, 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrol-1-ium-1-olate
Technical Specifications
| Molecular Formula | C12H14FNO |
| Molecular Weight | 207.10594 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 28.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.10594 Da |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
| SMILES | CC1(CCC(=[N+]1[O-])C2=CC=C(C=C2)F)C |
| InChIKey | AIOZECUNBHKILD-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate
Property Insights of 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate. With a topological polar surface area (TPSA) of 28.8 Ų, 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate?
The CAS number of 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate is 162553-39-1.
What is the molecular formula of 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate?
The molecular formula of 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate is C12H14FNO.
What is the molecular weight of 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate?
The molecular weight of 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate is 207.10594 g/mol.
Where can I buy 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate?
You can request a quote for 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate?
Yes, CoreyChem provides custom synthesis services for 5-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrrolium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.