![2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile structure](/static/products/6464/646497-78-1.webp)
2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile
TL;DR: 2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile (CAS 646497-78-1) is a chemical compound with molecular formula C11H6ClF6N and molecular weight 301.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,5-bis(trifluoromethyl)phenyl]-2-chloropropanenitrile
Also Known As: 2-chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile, 3-[3,5-bis(trifluoromethyl)phenyl]-2-chloropropanenitrile
| Molecular Formula | C11H6ClF6N |
|---|---|
| Molecular Weight | 301.01 g/mol |
| LogP | 4.39768 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.0093 |
| Heavy Atoms | 19 |
| Complexity | 467.1276 |
Chemical Identifiers
| CAS Number | 646497-78-1 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CC(C#N)Cl |
Product Overview
2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile (CAS 646497-78-1), with molecular formula C11H6ClF6N and molecular weight 301.01 g/mol. IUPAC: 3-[3,5-bis(trifluoromethyl)phenyl]-2-chloropropanenitrile.
Chemical Property Profile of 2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile
Property Insights of 2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile
The XLogP value of 4.39768 indicates that 2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile has 0 hydrogen bond donor(s) and 1 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-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile?
The CAS number of 2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile is 646497-78-1.
What is the molecular formula of 2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile?
The molecular formula of 2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile is C11H6ClF6N.
What is the molecular weight of 2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile?
The molecular weight of 2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile is 301.01 g/mol.
Where can I buy 2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile?
You can request a quote for 2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-[3,5-di(trifluoromethyl)phenyl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.