2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile
TL;DR: 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile (CAS 1113-69-5) is a chemical compound with molecular formula C6F6N2 and molecular weight 213.99657 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)propanedinitrile
Also Known As: Idonic acid, N-Methyl-diacetamid, 1,1-Bis(trifluoromethyl)-2,2-dicyanoethylene, Hexafluoroisopropylidenemalononitrile, 2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)propanedinitrile
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6F6N2 |
| Molecular Weight | 213.99657 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.99657 Da |
| Heavy Atoms | 14 |
| Complexity | 319.0 |
| SMILES | C(#N)C(=C(C(F)(F)F)C(F)(F)F)C#N |
| InChIKey | PFXBZIOMDHRUQQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile
Property Insights of 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile 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
What is the CAS number of 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile?
The CAS number of 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile is 1113-69-5.
What is the molecular formula of 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile?
The molecular formula of 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile is C6F6N2.
What is the molecular weight of 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile?
The molecular weight of 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile is 213.99657 g/mol.
Where can I buy 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile?
You can request a quote for 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.