![2-[3-(Trifluoromethyl)phenyl]benzonitrile structure](/static/products/5014/501427-87-8.webp)
2-[3-(Trifluoromethyl)phenyl]benzonitrile
TL;DR: 2-[3-(Trifluoromethyl)phenyl]benzonitrile (CAS 501427-87-8) is a chemical compound with molecular formula C14H8F3N and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)phenyl]benzonitrile
Also Known As: 2-[3-(trifluoromethyl)phenyl]benzonitrile, 3'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carbonitrile, 3'-(Trifluoromethyl)[1,1'-biphenyl]-2-carbonitrile, 2-3-(Trifluoromethyl)PhenylBenzonitrile, 3'-(Trifluoromethyl)[1,1'-biphenyl]
| Molecular Formula | C14H8F3N |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 4.24408 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.06088 |
| Heavy Atoms | 18 |
| Complexity | 608.9216 |
Chemical Identifiers
| CAS Number | 501427-87-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
2-[3-(Trifluoromethyl)phenyl]benzonitrile (CAS 501427-87-8), with molecular formula C14H8F3N and molecular weight 247.06 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenyl]benzonitrile.
Chemical Property Profile of 2-[3-(Trifluoromethyl)phenyl]benzonitrile
Property Insights of 2-[3-(Trifluoromethyl)phenyl]benzonitrile
The XLogP value of 4.24408 indicates that 2-[3-(Trifluoromethyl)phenyl]benzonitrile 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-[3-(Trifluoromethyl)phenyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(Trifluoromethyl)phenyl]benzonitrile 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-[3-(Trifluoromethyl)phenyl]benzonitrile?
The CAS number of 2-[3-(Trifluoromethyl)phenyl]benzonitrile is 501427-87-8.
What is the molecular formula of 2-[3-(Trifluoromethyl)phenyl]benzonitrile?
The molecular formula of 2-[3-(Trifluoromethyl)phenyl]benzonitrile is C14H8F3N.
What is the molecular weight of 2-[3-(Trifluoromethyl)phenyl]benzonitrile?
The molecular weight of 2-[3-(Trifluoromethyl)phenyl]benzonitrile is 247.06 g/mol.
Where can I buy 2-[3-(Trifluoromethyl)phenyl]benzonitrile?
You can request a quote for 2-[3-(Trifluoromethyl)phenyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(Trifluoromethyl)phenyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(Trifluoromethyl)phenyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.