2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)-
TL;DR: 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)- (CAS 2167-31-9) 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.
(E)-2,3-bis(trifluoromethyl)but-2-enedinitrile
Also Known As: 2,3-Di(trifluoromethyl)fumaronitrile, 2,3-bis(trifluoromethyl)fumaronitrile, 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)-, (2E)-bis(trifluoromethyl)but-2-enedinitrile, (E)-2,3-Bis(trifluoromethyl)-2-butenedinitrile
| Molecular Formula | C6F6N2 |
|---|---|
| Molecular Weight | 214.00 g/mol |
| LogP | 2.45476 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.99657 |
| Heavy Atoms | 14 |
| Complexity | 299.29413 |
Chemical Identifiers
| CAS Number | 2167-31-9 |
|---|---|
| SMILES | C(#N)/C(=C(/C#N)\C(F)(F)F)/C(F)(F)F |
Product Overview
2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)- (CAS 2167-31-9), with molecular formula C6F6N2 and molecular weight 214.00 g/mol. IUPAC: (E)-2,3-bis(trifluoromethyl)but-2-enedinitrile.
Chemical Property Profile of 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)-
Property Insights of 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)-
The XLogP value of 2.45476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)-. With a topological polar surface area (TPSA) of 47.58 Ų, 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)- has 0 hydrogen bond donor(s) and 2 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-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)-?
The CAS number of 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)- is 2167-31-9.
What is the molecular formula of 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)-?
The molecular formula of 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)- is C6F6N2.
What is the molecular weight of 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)-?
The molecular weight of 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)- is 214.00 g/mol.
Where can I buy 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)-?
You can request a quote for 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedinitrile, 2,3-bis(trifluoromethyl)-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.