Bis(trifluoromethyl)dicyano ethylene
TL;DR: Bis(trifluoromethyl)dicyano ethylene (CAS 2167-32-0) is a chemical compound with molecular formula C6F6N2 and molecular weight 214.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(trifluoromethyl)but-2-enedinitrile
Also Known As: bis(trifluoromethyl)dicyano ethylene, 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (Z)-
| Molecular Formula | C6F6N2 |
|---|---|
| Molecular Weight | 214.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.99657 |
| Heavy Atoms | 14 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 2167-32-0 |
|---|---|
| SMILES | C(#N)C(=C(C#N)C(F)(F)F)C(F)(F)F |
| InChIKey | UDDGYNNPOKTCHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(trifluoromethyl)dicyano ethylene (CAS 2167-32-0), with molecular formula C6F6N2 and molecular weight 214.00 g/mol. IUPAC: 2,3-bis(trifluoromethyl)but-2-enedinitrile.
Chemical Property Profile of Bis(trifluoromethyl)dicyano ethylene
Property Insights of Bis(trifluoromethyl)dicyano ethylene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(trifluoromethyl)dicyano ethylene. With a topological polar surface area (TPSA) of 47.6 Ų, Bis(trifluoromethyl)dicyano ethylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(trifluoromethyl)dicyano ethylene has 0 hydrogen bond donor(s) and 8 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 Bis(trifluoromethyl)dicyano ethylene?
The CAS number of Bis(trifluoromethyl)dicyano ethylene is 2167-32-0.
What is the molecular formula of Bis(trifluoromethyl)dicyano ethylene?
The molecular formula of Bis(trifluoromethyl)dicyano ethylene is C6F6N2.
What is the molecular weight of Bis(trifluoromethyl)dicyano ethylene?
The molecular weight of Bis(trifluoromethyl)dicyano ethylene is 214.00 g/mol.
Where can I buy Bis(trifluoromethyl)dicyano ethylene?
You can request a quote for Bis(trifluoromethyl)dicyano ethylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(trifluoromethyl)dicyano ethylene?
Yes, KEHONG BIO provides custom synthesis services for Bis(trifluoromethyl)dicyano ethylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.