Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate
TL;DR: Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate (CAS 129416-29-1) is a chemical compound with molecular formula C6H13F3NO3P and molecular weight 235.05852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-diethoxyphosphoryl-2,2,2-trifluoroethanamine
Also Known As: diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate, 1-diethoxyphosphoryl-2,2,2-trifluoroethanamine, 1-diethoxyphosphoryl-2,2,2-trifluoro-ethanamine, J1.931.205D, diethyl 1-amino-2,2,2-trifluoroethylphosphonate
Technical Specifications
| Molecular Formula | C6H13F3NO3P |
| Molecular Weight | 235.05852 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.05852 Da |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
| SMILES | CCOP(=O)(C(C(F)(F)F)N)OCC |
| InChIKey | BPFUBLZRCYWAEB-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate
Property Insights of Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate. Following Lipinski's Rule of Five, Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate?
The CAS number of Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate is 129416-29-1.
What is the molecular formula of Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate?
The molecular formula of Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate is C6H13F3NO3P.
What is the molecular weight of Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate?
The molecular weight of Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate is 235.05852 g/mol.
Where can I buy Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate?
You can request a quote for Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate?
Yes, CoreyChem provides custom synthesis services for Diethyl (1-amino-2,2,2-trifluoroethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.