2,4-Bis(Trifluoromethyl)Phenylacetonitrile
TL;DR: 2,4-Bis(Trifluoromethyl)Phenylacetonitrile (CAS 16375-88-5) is a chemical compound with molecular formula C10H5F6N and molecular weight 253.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,4-bis(trifluoromethyl)phenyl]acetonitrile
Also Known As: 2,4-Bis(Trifluoromethyl)Phenylacetonitrile, 4-Acetamidobenzyl alcohol, 2-[2,4-bis(trifluoromethyl)phenyl]acetonitrile, lanthanum(iii)oxalatehydrate, 2-(2,4-Bis(trifluoromethyl)phenyl)acetonitrile
| Molecular Formula | C10H5F6N |
|---|---|
| Molecular Weight | 253.03 g/mol |
| LogP | 3.79028 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.03262 |
| Heavy Atoms | 17 |
| Complexity | 451.33466 |
Chemical Identifiers
| CAS Number | 16375-88-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)CC#N |
Product Overview
2,4-Bis(Trifluoromethyl)Phenylacetonitrile (CAS 16375-88-5), with molecular formula C10H5F6N and molecular weight 253.03 g/mol. IUPAC: 2-[2,4-bis(trifluoromethyl)phenyl]acetonitrile.
Chemical Property Profile of 2,4-Bis(Trifluoromethyl)Phenylacetonitrile
Property Insights of 2,4-Bis(Trifluoromethyl)Phenylacetonitrile
The XLogP value of 3.79028 indicates that 2,4-Bis(Trifluoromethyl)Phenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2,4-Bis(Trifluoromethyl)Phenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Bis(Trifluoromethyl)Phenylacetonitrile 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 2,4-Bis(Trifluoromethyl)Phenylacetonitrile?
The CAS number of 2,4-Bis(Trifluoromethyl)Phenylacetonitrile is 16375-88-5.
What is the molecular formula of 2,4-Bis(Trifluoromethyl)Phenylacetonitrile?
The molecular formula of 2,4-Bis(Trifluoromethyl)Phenylacetonitrile is C10H5F6N.
What is the molecular weight of 2,4-Bis(Trifluoromethyl)Phenylacetonitrile?
The molecular weight of 2,4-Bis(Trifluoromethyl)Phenylacetonitrile is 253.03 g/mol.
Where can I buy 2,4-Bis(Trifluoromethyl)Phenylacetonitrile?
You can request a quote for 2,4-Bis(Trifluoromethyl)Phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis(Trifluoromethyl)Phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis(Trifluoromethyl)Phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.