2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate
TL;DR: 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate (CAS 160921-18-6) is a chemical compound with molecular formula C8H11F3N2S and molecular weight 224.05951 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1,1,1-trifluoro-3-pyrrolidin-1-ylpropan-2-yl) thiocyanate
Also Known As: N-(2-thiocyanato-3,3,3-trifluoropropyl)pyrrolidine, 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate, 1-(3,3,3-trifluoro-2-thiocyanato-propyl)pyrrolidine, (1,1,1-trifluoro-3-pyrrolidin-1-ylpropan-2-yl) thiocyanate, 1,1,1-Trifluoro-3-(pyrrolidin-1-yl)propan-2-yl thiocyanate
Technical Specifications
| Molecular Formula | C8H11F3N2S |
| Molecular Weight | 224.05951 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.05951 Da |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
| SMILES | C1CCN(C1)CC(C(F)(F)F)SC#N |
| InChIKey | QSIFSXKWTVBOAZ-UHFFFAOYSA-N |
Chemical Property Profile of 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate
Property Insights of 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate. With a topological polar surface area (TPSA) of 52.3 Ų, 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate?
The CAS number of 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate is 160921-18-6.
What is the molecular formula of 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate?
The molecular formula of 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate is C8H11F3N2S.
What is the molecular weight of 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate?
The molecular weight of 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate is 224.05951 g/mol.
Where can I buy 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate?
You can request a quote for 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate?
Yes, CoreyChem provides custom synthesis services for 2,2,2-Trifluoro-1-(1-pyrrolidinylmethyl)ethyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.