2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate
TL;DR: 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate (CAS 877964-01-7) is a chemical compound with molecular formula C9H13F3N2O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 4-carbamoylpiperidine-1-carboxylate
Also Known As: 2,2,2-trifluoroethyl 4-carbamoylpiperidine-1-carboxylate, 2,2,2-trifluoroethyl 4-(aminocarbonyl)piperidine-1-carboxylate, 2,2,2-trifluoroethyl4-carbamoylpiperidine-1-carboxylate
| Molecular Formula | C9H13F3N2O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 0.8826 |
| Topological Polar Surface Area | 72.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.08783 |
| Heavy Atoms | 17 |
| Complexity | 298.35144 |
Chemical Identifiers
| CAS Number | 877964-01-7 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C(=O)OCC(F)(F)F |
Product Overview
2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate (CAS 877964-01-7), with molecular formula C9H13F3N2O3 and molecular weight 254.09 g/mol. IUPAC: 2,2,2-trifluoroethyl 4-carbamoylpiperidine-1-carboxylate.
Chemical Property Profile of 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate
Property Insights of 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate
The XLogP value of 0.8826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate. The TPSA of 72.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate 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
Frequently Asked Questions
What is the CAS number of 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate?
The CAS number of 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate is 877964-01-7.
What is the molecular formula of 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate?
The molecular formula of 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate is C9H13F3N2O3.
What is the molecular weight of 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate?
The molecular weight of 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate is 254.09 g/mol.
Where can I buy 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate?
You can request a quote for 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl 4-carbamoylpiperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.