(E)-4,4,4-trifluoro-2-butenenitrile
TL;DR: (E)-4,4,4-trifluoro-2-butenenitrile (CAS 406-86-0) is a chemical compound with molecular formula C4H2F3N and molecular weight 121.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluorobut-2-enenitrile
Also Known As: 4,4,4-trifluorobut-2-enenitrile, 4,4,4-Trifluorocrotonitrile, 4,4,4-trifluorocrotononitrile, 4,4,4-Trifluoro-2-butenenitrile, 2-Butenenitrile,4,4,4-trifluoro-
| Molecular Formula | C4H2F3N |
|---|---|
| Molecular Weight | 121.01 g/mol |
| LogP | 1.62848 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.01393 |
| Heavy Atoms | 8 |
| Complexity | 127.1993 |
Chemical Identifiers
| CAS Number | 406-86-0 |
|---|---|
| SMILES | C(=CC(F)(F)F)C#N |
Product Overview
(E)-4,4,4-trifluoro-2-butenenitrile (CAS 406-86-0), with molecular formula C4H2F3N and molecular weight 121.01 g/mol. IUPAC: 4,4,4-trifluorobut-2-enenitrile.
Chemical Property Profile of (E)-4,4,4-trifluoro-2-butenenitrile
Property Insights of (E)-4,4,4-trifluoro-2-butenenitrile
The XLogP value of 1.62848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4,4,4-trifluoro-2-butenenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, (E)-4,4,4-trifluoro-2-butenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4,4,4-trifluoro-2-butenenitrile has 0 hydrogen bond donor(s) and 1 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 (E)-4,4,4-trifluoro-2-butenenitrile?
The CAS number of (E)-4,4,4-trifluoro-2-butenenitrile is 406-86-0.
What is the molecular formula of (E)-4,4,4-trifluoro-2-butenenitrile?
The molecular formula of (E)-4,4,4-trifluoro-2-butenenitrile is C4H2F3N.
What is the molecular weight of (E)-4,4,4-trifluoro-2-butenenitrile?
The molecular weight of (E)-4,4,4-trifluoro-2-butenenitrile is 121.01 g/mol.
Where can I buy (E)-4,4,4-trifluoro-2-butenenitrile?
You can request a quote for (E)-4,4,4-trifluoro-2-butenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4,4,4-trifluoro-2-butenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-4,4,4-trifluoro-2-butenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.