![4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile structure](/static/products/4213/42134-72-5.webp)
4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile
TL;DR: 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile (CAS 42134-72-5) is a chemical compound with molecular formula C17H11F6N and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis[4-(trifluoromethyl)phenyl]propanenitrile
Also Known As: 2,3-Bis[4-(trifluoromethyl)phenyl]propanenitrile, .alpha.,.beta.-Bis[4-trifloromethylphenyl]propionitrile, alpha,beta-Bis[4-trifloromethylphenyl]propionitrile, 2,3-Bis[4-(trifluoromethyl)phenyl]propanenitrile #, 4-(Trifluoromethyl)-alpha-(4-(trifluoromethyl)phenyl)benzenepropanenitrile
| Molecular Formula | C17H11F6N |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.07956 |
| Heavy Atoms | 24 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 42134-72-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F |
| InChIKey | LJBWSBZVEAFMOP-UHFFFAOYSA-N |
Product Overview
4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile (CAS 42134-72-5), with molecular formula C17H11F6N and molecular weight 343.08 g/mol. IUPAC: 2,3-bis[4-(trifluoromethyl)phenyl]propanenitrile.
Chemical Property Profile of 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile
Property Insights of 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile
The XLogP value of 5.3 indicates that 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile?
The CAS number of 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile is 42134-72-5.
What is the molecular formula of 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile?
The molecular formula of 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile is C17H11F6N.
What is the molecular weight of 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile?
The molecular weight of 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile is 343.08 g/mol.
Where can I buy 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile?
You can request a quote for 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethyl)-alpha-[4-(trifluoromethyl)phenyl]benzenepropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.