(E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile
TL;DR: (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile (CAS 95728-83-9) is a chemical compound with molecular formula C10H6F3N and molecular weight 197.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
Also Known As: -3-[3- phenyl]acrylonitrile, (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile, EINECS 261-154-4, (E)-m-trifluoromethylcinnamonitrile, 3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
| Molecular Formula | C10H6F3N |
|---|---|
| Molecular Weight | 197.05 g/mol |
| LogP | 3.24218 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.04523 |
| Heavy Atoms | 14 |
| Complexity | 385.08896 |
Chemical Identifiers
| CAS Number | 95728-83-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)/C=C/C#N |
Product Overview
(E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile (CAS 95728-83-9), with molecular formula C10H6F3N and molecular weight 197.05 g/mol. IUPAC: (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile.
Chemical Property Profile of (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile
Property Insights of (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile
The XLogP value of 3.24218 indicates that (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile 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 (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile?
The CAS number of (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile is 95728-83-9.
What is the molecular formula of (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile?
The molecular formula of (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile is C10H6F3N.
What is the molecular weight of (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile?
The molecular weight of (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile is 197.05 g/mol.
Where can I buy (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile?
You can request a quote for (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.