4,4,4-Trifluoro-2-methylbutanenitrile
TL;DR: 4,4,4-Trifluoro-2-methylbutanenitrile (CAS 2214-85-9) is a chemical compound with molecular formula C5H6F3N and molecular weight 137.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-2-methylbutanenitrile
Also Known As: 4,4,4-Trifluoro-2-methylbutanenitrile, 4,4,4-Trifluoro-2-methylbutyronitrile, Butyronitrile, 4,4,4-trifluoro-2-methyl-, 4,4,4-Trifluor-2-methyl-butyronitril, 4,4,4-Trifluoro-2-methylbutanenitrile #
| Molecular Formula | C5H6F3N |
|---|---|
| Molecular Weight | 137.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.04523 |
| Heavy Atoms | 9 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 2214-85-9 |
|---|---|
| SMILES | CC(CC(F)(F)F)C#N |
| InChIKey | JPVGZLSTXJCAFY-UHFFFAOYSA-N |
Product Overview
4,4,4-Trifluoro-2-methylbutanenitrile (CAS 2214-85-9), with molecular formula C5H6F3N and molecular weight 137.05 g/mol. IUPAC: 4,4,4-trifluoro-2-methylbutanenitrile.
Chemical Property Profile of 4,4,4-Trifluoro-2-methylbutanenitrile
Property Insights of 4,4,4-Trifluoro-2-methylbutanenitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluoro-2-methylbutanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 4,4,4-Trifluoro-2-methylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-2-methylbutanenitrile has 0 hydrogen bond donor(s) and 4 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-Trifluoro-2-methylbutanenitrile?
The CAS number of 4,4,4-Trifluoro-2-methylbutanenitrile is 2214-85-9.
What is the molecular formula of 4,4,4-Trifluoro-2-methylbutanenitrile?
The molecular formula of 4,4,4-Trifluoro-2-methylbutanenitrile is C5H6F3N.
What is the molecular weight of 4,4,4-Trifluoro-2-methylbutanenitrile?
The molecular weight of 4,4,4-Trifluoro-2-methylbutanenitrile is 137.05 g/mol.
Where can I buy 4,4,4-Trifluoro-2-methylbutanenitrile?
You can request a quote for 4,4,4-Trifluoro-2-methylbutanenitrile 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-Trifluoro-2-methylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoro-2-methylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.