4,4-Bis(trifluoromethyl)piperidine--water (1/1)
TL;DR: 4,4-Bis(trifluoromethyl)piperidine--water (1/1) (CAS 63867-63-0) is a chemical compound with molecular formula C7H11F6NO and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-bis(trifluoromethyl)piperidine;hydrate
Also Known As: 2,2-Bis(trifluoromethyl)piperidine hydrate, 4,4-bis(trifluoromethyl)piperidine hydrate(1:1), 4,4-bis(trifluoromethyl)piperidine hydrate, Piperidine, 4,4-bis(trifluoromethyl)-, hydrate, 4,4-Bis(trifluoromethyl)piperidine--water (1/1)
| Molecular Formula | C7H11F6NO |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 1.66 |
| Topological Polar Surface Area | 13.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.07448 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 63867-63-0 |
|---|---|
| SMILES | C1CNCCC1(C(F)(F)F)C(F)(F)F.O |
| InChIKey | PFUAHBQDDRSAJC-UHFFFAOYSA-N |
Product Overview
4,4-Bis(trifluoromethyl)piperidine--water (1/1) (CAS 63867-63-0), with molecular formula C7H11F6NO and molecular weight 239.07 g/mol. IUPAC: 4,4-bis(trifluoromethyl)piperidine;hydrate.
Chemical Property Profile of 4,4-Bis(trifluoromethyl)piperidine--water (1/1)
Property Insights of 4,4-Bis(trifluoromethyl)piperidine--water (1/1)
The XLogP value of 1.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Bis(trifluoromethyl)piperidine--water (1/1). With a topological polar surface area (TPSA) of 13.0 Ų, 4,4-Bis(trifluoromethyl)piperidine--water (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Bis(trifluoromethyl)piperidine--water (1/1) has 2 hydrogen bond donor(s) and 8 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-Bis(trifluoromethyl)piperidine--water (1/1)?
The CAS number of 4,4-Bis(trifluoromethyl)piperidine--water (1/1) is 63867-63-0.
What is the molecular formula of 4,4-Bis(trifluoromethyl)piperidine--water (1/1)?
The molecular formula of 4,4-Bis(trifluoromethyl)piperidine--water (1/1) is C7H11F6NO.
What is the molecular weight of 4,4-Bis(trifluoromethyl)piperidine--water (1/1)?
The molecular weight of 4,4-Bis(trifluoromethyl)piperidine--water (1/1) is 239.07 g/mol.
Where can I buy 4,4-Bis(trifluoromethyl)piperidine--water (1/1)?
You can request a quote for 4,4-Bis(trifluoromethyl)piperidine--water (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Bis(trifluoromethyl)piperidine--water (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Bis(trifluoromethyl)piperidine--water (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.