2-Hydroxy-2-(trifluoromethyl)butanenitrile
TL;DR: 2-Hydroxy-2-(trifluoromethyl)butanenitrile (CAS 203302-91-4) is a chemical compound with molecular formula C5H6F3NO and molecular weight 153.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-(trifluoromethyl)butanenitrile
Also Known As: 2-hydroxy-2-(trifluoromethyl)butanenitrile, 1,1,1-Trifluoro-2-butanone cyanohydrin, Butanenitrile, 2-hydroxy-2-(trifluoromethyl)-, 2-Hydroxy-2-(trifluoromethyl)butyronitrile, 6859AD
| Molecular Formula | C5H6F3NO |
|---|---|
| Molecular Weight | 153.04 g/mol |
| LogP | 1.21338 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.04015 |
| Heavy Atoms | 10 |
| Complexity | 159.25645 |
Chemical Identifiers
| CAS Number | 203302-91-4 |
|---|---|
| SMILES | CCC(C#N)(C(F)(F)F)O |
Product Overview
2-Hydroxy-2-(trifluoromethyl)butanenitrile (CAS 203302-91-4), with molecular formula C5H6F3NO and molecular weight 153.04 g/mol. IUPAC: 2-hydroxy-2-(trifluoromethyl)butanenitrile.
Chemical Property Profile of 2-Hydroxy-2-(trifluoromethyl)butanenitrile
Property Insights of 2-Hydroxy-2-(trifluoromethyl)butanenitrile
The XLogP value of 1.21338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-2-(trifluoromethyl)butanenitrile. With a topological polar surface area (TPSA) of 44.02 Ų, 2-Hydroxy-2-(trifluoromethyl)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-2-(trifluoromethyl)butanenitrile has 1 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 2-Hydroxy-2-(trifluoromethyl)butanenitrile?
The CAS number of 2-Hydroxy-2-(trifluoromethyl)butanenitrile is 203302-91-4.
What is the molecular formula of 2-Hydroxy-2-(trifluoromethyl)butanenitrile?
The molecular formula of 2-Hydroxy-2-(trifluoromethyl)butanenitrile is C5H6F3NO.
What is the molecular weight of 2-Hydroxy-2-(trifluoromethyl)butanenitrile?
The molecular weight of 2-Hydroxy-2-(trifluoromethyl)butanenitrile is 153.04 g/mol.
Where can I buy 2-Hydroxy-2-(trifluoromethyl)butanenitrile?
You can request a quote for 2-Hydroxy-2-(trifluoromethyl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-2-(trifluoromethyl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-2-(trifluoromethyl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.