alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile
TL;DR: alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile (CAS 175205-70-6) is a chemical compound with molecular formula C10H6F3NO and molecular weight 213.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-3-oxo-2-phenylbutanenitrile
Also Known As: 2-phenyl-2-(trifluoroacetyl)acetonitrile, 4,4,4-trifluoro-3-oxo-2-phenylbutanenitrile, (trifluoroacetyl)phenylacetonitrile, Benzeneacetonitrile, a-(trifluoroacetyl)-, 4,4,4-Trifluoro-3-oxo-2-phenyl-butyronitrile
| Molecular Formula | C10H6F3NO |
|---|---|
| Molecular Weight | 213.04 g/mol |
| LogP | 2.42518 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.04015 |
| Heavy Atoms | 15 |
| Complexity | 391.3688 |
Chemical Identifiers
| CAS Number | 175205-70-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C(=O)C(F)(F)F |
Product Overview
alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile (CAS 175205-70-6), with molecular formula C10H6F3NO and molecular weight 213.04 g/mol. IUPAC: 4,4,4-trifluoro-3-oxo-2-phenylbutanenitrile.
Chemical Property Profile of alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile
Property Insights of alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile
The XLogP value of 2.42518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile. With a topological polar surface area (TPSA) of 40.86 Ų, alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile has 0 hydrogen bond donor(s) and 2 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 alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile?
The CAS number of alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile is 175205-70-6.
What is the molecular formula of alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile?
The molecular formula of alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile is C10H6F3NO.
What is the molecular weight of alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile?
The molecular weight of alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile is 213.04 g/mol.
Where can I buy alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile?
You can request a quote for alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for alpha-(2,2,2-Trifluoroacetyl)benzeneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.