![[2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile structure](/static/products/563/5632-46-2.png)
[2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile
TL;DR: [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile (CAS 5632-46-2) is a chemical compound with molecular formula C10HF7N2 and molecular weight 282.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile
Also Known As: perfluoropropyl radical, C10HF7N2, KST-1A6059, [2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile, 2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile
| Molecular Formula | C10HF7N2 |
|---|---|
| Molecular Weight | 282.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.0028 |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 5632-46-2 |
|---|---|
| SMILES | C(#N)C(C#N)C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F |
| InChIKey | IQOLPUUIUYCGTI-UHFFFAOYSA-N |
Product Overview
[2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile (CAS 5632-46-2), with molecular formula C10HF7N2 and molecular weight 282.00 g/mol. IUPAC: 2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile.
Chemical Property Profile of [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile
Property Insights of [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile has 0 hydrogen bond donor(s) and 9 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 [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile?
The CAS number of [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile is 5632-46-2.
What is the molecular formula of [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile?
The molecular formula of [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile is C10HF7N2.
What is the molecular weight of [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile?
The molecular weight of [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile is 282.00 g/mol.
Where can I buy [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile?
You can request a quote for [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.