2-((4-Fluorophenyl)amino)-2-methylpropanenitrile
TL;DR: 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile (CAS 121071-28-1) is a chemical compound with molecular formula C10H11FN2 and molecular weight 178.09062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-fluoroanilino)-2-methylpropanenitrile
Also Known As: 2-[(4-fluorophenyl)amino]-2-methylpropanenitrile, 2-((4-fluorophenyl)amino)-2-methylpropanenitrile, 2-(4-fluoroanilino)-2-methylpropanenitrile, 2-(4-fluoroanilino)-2-methyl-propanenitrile, F3048-0210
Technical Specifications
| Molecular Formula | C10H11FN2 |
| Molecular Weight | 178.09062 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.09062 Da |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
| SMILES | CC(C)(C#N)NC1=CC=C(C=C1)F |
| InChIKey | SVDZNKZOOVMIKJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile
Property Insights of 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile. With a topological polar surface area (TPSA) of 35.8 Ų, 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile?
The CAS number of 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile is 121071-28-1.
What is the molecular formula of 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile?
The molecular formula of 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile is C10H11FN2.
What is the molecular weight of 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile?
The molecular weight of 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile is 178.09062 g/mol.
Where can I buy 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile?
You can request a quote for 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile?
Yes, CoreyChem provides custom synthesis services for 2-((4-Fluorophenyl)amino)-2-methylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.