2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile
TL;DR: 2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile (CAS 76474-33-4) is a chemical compound with molecular formula C11H6F3N3 and molecular weight 237.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-anilino-2,2,2-trifluoroethylidene)propanedinitrile
Also Known As: 2-(2,2,2-TRIFLUORO-1-PHENYLAMINO-ETHYLIDENE)-MALONONITRILE, 2-(2,2,2-Trifluoro-1-(phenylamino)ethylidene)malononitrile, 2-(1-anilino-2,2,2-trifluoroethylidene)propanedinitrile, 2-(1-anilino-2,2,2-trifluoro-ethylidene)propanedinitrile
| Molecular Formula | C11H6F3N3 |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 2.96206 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.05138 |
| Heavy Atoms | 17 |
| Complexity | 487.49368 |
Chemical Identifiers
| CAS Number | 76474-33-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=C(C#N)C#N)C(F)(F)F |
Product Overview
2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile (CAS 76474-33-4), with molecular formula C11H6F3N3 and molecular weight 237.05 g/mol. IUPAC: 2-(1-anilino-2,2,2-trifluoroethylidene)propanedinitrile.
Chemical Property Profile of 2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile
Property Insights of 2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile
The XLogP value of 2.96206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile. With a topological polar surface area (TPSA) of 59.61 Ų, 2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile has 1 hydrogen bond donor(s) and 3 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-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile?
The CAS number of 2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile is 76474-33-4.
What is the molecular formula of 2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile?
The molecular formula of 2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile is C11H6F3N3.
What is the molecular weight of 2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile?
The molecular weight of 2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile is 237.05 g/mol.
Where can I buy 2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile?
You can request a quote for 2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2,2-Trifluoro-1-phenylamino-ethylidene)-malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.