Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate
TL;DR: Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate (CAS 114066-56-7) is a chemical compound with molecular formula C6H3F6NO3 and molecular weight 251.00171 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate
Also Known As: methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate, Methyl (2E)-3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)imino-propanoate, methyl 2-trifluoroacetyl-3,3,3-trifluoropropionate, I14-36278, methyl 2-trifluoroacetylimino-3,3,3-trifluoropropionate
Technical Specifications
| Molecular Formula | C6H3F6NO3 |
| Molecular Weight | 251.00171 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.00171 Da |
| Heavy Atoms | 16 |
| Complexity | 328.0 |
| SMILES | COC(=O)C(=NC(=O)C(F)(F)F)C(F)(F)F |
| InChIKey | XVAPGVSZBZOUTQ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate
Property Insights of Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate. With a topological polar surface area (TPSA) of 55.7 Ų, Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate?
The CAS number of Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate is 114066-56-7.
What is the molecular formula of Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate?
The molecular formula of Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate is C6H3F6NO3.
What is the molecular weight of Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate?
The molecular weight of Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate is 251.00171 g/mol.
Where can I buy Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate?
You can request a quote for Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.