2-Trifluoromethyl acrylonitrile
TL;DR: 2-Trifluoromethyl acrylonitrile (CAS 381-84-0) 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.
2-(trifluoromethyl)prop-2-enenitrile
Also Known As: 2-(Trifluoromethyl)acrylonitrile, 2-Trifluoromethyl acrylonitrile, 2-(trifluoromethyl)prop-2-enenitrile, 2-Cyano-3,3,3-trifluoropropene, 2-TRIFLUOROMETHYLACRYLONITRILE
| Molecular Formula | C4H2F3N |
|---|---|
| Molecular Weight | 121.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.01393 |
| Heavy Atoms | 8 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 381-84-0 |
|---|---|
| SMILES | C=C(C#N)C(F)(F)F |
| InChIKey | XHOYJCHWYPGFNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Trifluoromethyl acrylonitrile (CAS 381-84-0), with molecular formula C4H2F3N and molecular weight 121.01 g/mol. IUPAC: 2-(trifluoromethyl)prop-2-enenitrile.
Chemical Property Profile of 2-Trifluoromethyl acrylonitrile
Property Insights of 2-Trifluoromethyl acrylonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Trifluoromethyl acrylonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Trifluoromethyl acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Trifluoromethyl acrylonitrile 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 2-Trifluoromethyl acrylonitrile?
The CAS number of 2-Trifluoromethyl acrylonitrile is 381-84-0.
What is the molecular formula of 2-Trifluoromethyl acrylonitrile?
The molecular formula of 2-Trifluoromethyl acrylonitrile is C4H2F3N.
What is the molecular weight of 2-Trifluoromethyl acrylonitrile?
The molecular weight of 2-Trifluoromethyl acrylonitrile is 121.01 g/mol.
Where can I buy 2-Trifluoromethyl acrylonitrile?
You can request a quote for 2-Trifluoromethyl acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Trifluoromethyl acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Trifluoromethyl acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.