4,4-Difluoropiperidin-1-ium
TL;DR: 4,4-Difluoropiperidin-1-ium (CAS 21987-29-1) is a chemical compound with molecular formula C5H10F2N+ and molecular weight 122.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-difluoropiperidin-1-ium
Also Known As: 4,4-difluoropiperidine, 4,4-difluoropiperidin-1-ium
| Molecular Formula | C5H10F2N+ |
|---|---|
| Molecular Weight | 122.08 g/mol |
| LogP | -0.0211 |
| Topological Polar Surface Area | 16.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.07813 |
| Heavy Atoms | 8 |
| Complexity | 74.497856 |
Chemical Identifiers
| CAS Number | 21987-29-1 |
|---|---|
| SMILES | C1C[NH2+]CCC1(F)F |
Product Overview
4,4-Difluoropiperidin-1-ium (CAS 21987-29-1), with molecular formula C5H10F2N+ and molecular weight 122.08 g/mol. IUPAC: 4,4-difluoropiperidin-1-ium.
Chemical Property Profile of 4,4-Difluoropiperidin-1-ium
Property Insights of 4,4-Difluoropiperidin-1-ium
The XLogP value of -0.0211 indicates that 4,4-Difluoropiperidin-1-ium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 16.61 Ų, 4,4-Difluoropiperidin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Difluoropiperidin-1-ium has 1 hydrogen bond donor(s) and 0 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 4,4-Difluoropiperidin-1-ium?
The CAS number of 4,4-Difluoropiperidin-1-ium is 21987-29-1.
What is the molecular formula of 4,4-Difluoropiperidin-1-ium?
The molecular formula of 4,4-Difluoropiperidin-1-ium is C5H10F2N+.
What is the molecular weight of 4,4-Difluoropiperidin-1-ium?
The molecular weight of 4,4-Difluoropiperidin-1-ium is 122.08 g/mol.
Where can I buy 4,4-Difluoropiperidin-1-ium?
You can request a quote for 4,4-Difluoropiperidin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Difluoropiperidin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Difluoropiperidin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.