4,4,4,4',4',4'-Hexafluorovaline
TL;DR: 4,4,4,4',4',4'-Hexafluorovaline (CAS 16063-80-2) is a chemical compound with molecular formula C5H5F6NO2 and molecular weight 225.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
Also Known As: Hexafluoro-dl-valine, Hexafluorovaline, 4,4,4,4',4',4'-hexafluoro-dl-valine, 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid, 4,4,4,4',4',4'-hexafluorovaline
| Molecular Formula | C5H5F6NO2 |
|---|---|
| Molecular Weight | 225.02 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.02245 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 16063-80-2 |
|---|---|
| SMILES | C(C(C(F)(F)F)C(F)(F)F)(C(=O)O)N |
| InChIKey | KRNSHCKTGFAMPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4,4',4',4'-Hexafluorovaline (CAS 16063-80-2), with molecular formula C5H5F6NO2 and molecular weight 225.02 g/mol. IUPAC: 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid.
Chemical Property Profile of 4,4,4,4',4',4'-Hexafluorovaline
Property Insights of 4,4,4,4',4',4'-Hexafluorovaline
The XLogP value of -0.9 indicates that 4,4,4,4',4',4'-Hexafluorovaline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4,4,4',4',4'-Hexafluorovaline. Following Lipinski's Rule of Five, 4,4,4,4',4',4'-Hexafluorovaline has 2 hydrogen bond donor(s) and 9 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 4,4,4,4',4',4'-Hexafluorovaline?
The CAS number of 4,4,4,4',4',4'-Hexafluorovaline is 16063-80-2.
What is the molecular formula of 4,4,4,4',4',4'-Hexafluorovaline?
The molecular formula of 4,4,4,4',4',4'-Hexafluorovaline is C5H5F6NO2.
What is the molecular weight of 4,4,4,4',4',4'-Hexafluorovaline?
The molecular weight of 4,4,4,4',4',4'-Hexafluorovaline is 225.02 g/mol.
Where can I buy 4,4,4,4',4',4'-Hexafluorovaline?
You can request a quote for 4,4,4,4',4',4'-Hexafluorovaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4,4',4',4'-Hexafluorovaline?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4,4',4',4'-Hexafluorovaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.