![2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide structure](/static/products/4778/477870-78-3.webp)
2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide
TL;DR: 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide (CAS 477870-78-3) is a chemical compound with molecular formula C9H10F3N3O2 and molecular weight 249.07251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide
Also Known As: 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide, 2-cyano-N'-[(E)-1-ethyl-4,4,4-trifluoro-3-oxobutylidene]acetohydrazide
Technical Specifications
| Molecular Formula | C9H10F3N3O2 |
| Molecular Weight | 249.07251 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.07251 Da |
| Heavy Atoms | 17 |
| Complexity | 379.0 |
| SMILES | CCC(=NNC(=O)CC#N)CC(=O)C(F)(F)F |
| InChIKey | BYAKFSQAEHAYGC-UHFFFAOYSA-N |
Chemical Property Profile of 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide
Property Insights of 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide. Following Lipinski's Rule of Five, 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide 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 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide?
The CAS number of 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide is 477870-78-3.
What is the molecular formula of 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide?
The molecular formula of 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide is C9H10F3N3O2.
What is the molecular weight of 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide?
The molecular weight of 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide is 249.07251 g/mol.
Where can I buy 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide?
You can request a quote for 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide?
Yes, CoreyChem provides custom synthesis services for 2-cyano-N-[(6,6,6-trifluoro-5-oxohexan-3-ylidene)amino]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.