4,4,4-Trifluorobut-2-enenitrile
TL;DR: 4,4,4-Trifluorobut-2-enenitrile (CAS 84476-96-0) 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.
(E)-4,4,4-trifluorobut-2-enenitrile
Also Known As: 4,4,4-Trifluorocrotonitrile, 4,4,4-trifluorocrotononitrile, 4,4,4-trifluorobut-2-enenitrile, trifluorocrotononitrile, 4,4,4-Trifluoro-2-butenenitrile
| 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 | 84476-96-0 |
|---|---|
| SMILES | C(=C/C(F)(F)F)\C#N |
Product Overview
4,4,4-Trifluorobut-2-enenitrile (CAS 84476-96-0), with molecular formula C4H2F3N and molecular weight 121.01 g/mol. IUPAC: (E)-4,4,4-trifluorobut-2-enenitrile.
Chemical Property Profile of 4,4,4-Trifluorobut-2-enenitrile
Property Insights of 4,4,4-Trifluorobut-2-enenitrile
The XLogP value of 1.62848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluorobut-2-enenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 4,4,4-Trifluorobut-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluorobut-2-enenitrile 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 4,4,4-Trifluorobut-2-enenitrile?
The CAS number of 4,4,4-Trifluorobut-2-enenitrile is 84476-96-0.
What is the molecular formula of 4,4,4-Trifluorobut-2-enenitrile?
The molecular formula of 4,4,4-Trifluorobut-2-enenitrile is C4H2F3N.
What is the molecular weight of 4,4,4-Trifluorobut-2-enenitrile?
The molecular weight of 4,4,4-Trifluorobut-2-enenitrile is 121.01 g/mol.
Where can I buy 4,4,4-Trifluorobut-2-enenitrile?
You can request a quote for 4,4,4-Trifluorobut-2-enenitrile 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-Trifluorobut-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluorobut-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.