(Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one
TL;DR: (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one (CAS 215519-33-8) is a chemical compound with molecular formula C9H12F3NO and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-4-piperidin-1-ylbut-3-en-2-one
Also Known As: (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one, 1,1,1-trifluoro-4-piperidin-1-ylbut-3-en-2-one, 1-(3-Oxo-4,4,4-trifluorobut-1-enyl)piperidine, 1,1,1-trifluoro-4-(piperidin-1-yl)but-3-en-2-one, 1,1,1-trifluoro-4-(1-piperidyl)but-3-en-2-one
| Molecular Formula | C9H12F3NO |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 2.1174 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.0871 |
| Heavy Atoms | 14 |
| Complexity | 228.7018 |
Chemical Identifiers
| CAS Number | 215519-33-8 |
|---|---|
| SMILES | C1CCN(CC1)C=CC(=O)C(F)(F)F |
Product Overview
(Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one (CAS 215519-33-8), with molecular formula C9H12F3NO and molecular weight 207.09 g/mol. IUPAC: 1,1,1-trifluoro-4-piperidin-1-ylbut-3-en-2-one.
Chemical Property Profile of (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one
Property Insights of (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one
The XLogP value of 2.1174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one. With a topological polar surface area (TPSA) of 20.31 Ų, (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one has 0 hydrogen bond donor(s) and 2 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 (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one?
The CAS number of (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one is 215519-33-8.
What is the molecular formula of (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one?
The molecular formula of (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one is C9H12F3NO.
What is the molecular weight of (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one?
The molecular weight of (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one is 207.09 g/mol.
Where can I buy (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one?
You can request a quote for (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-1,1,1-trifluoro-4-piperidino-3-buten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.