Methoxyphenyl(trifluoromethyl)acetonitrile
TL;DR: Methoxyphenyl(trifluoromethyl)acetonitrile (CAS 80866-87-1) is a chemical compound with molecular formula C10H8F3NO and molecular weight 215.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile
Also Known As: 2-Methoxy-2-phenyl-3,3,3-trifluoropropionitrile, 3,3,3-Trifluoro-2-methoxy-2-phenylpropanenitrile, EINECS 279-591-4, Methoxyphenyl(trifluoromethyl)acetonitrile, LABOTEST-BB LT00159651
| Molecular Formula | C10H8F3NO |
|---|---|
| Molecular Weight | 215.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.0558 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 80866-87-1 |
|---|---|
| SMILES | COC(C#N)(C1=CC=CC=C1)C(F)(F)F |
| InChIKey | UBOJBAYKXZRZHI-UHFFFAOYSA-N |
Product Overview
Methoxyphenyl(trifluoromethyl)acetonitrile (CAS 80866-87-1), with molecular formula C10H8F3NO and molecular weight 215.06 g/mol. IUPAC: 3,3,3-trifluoro-2-methoxy-2-phenylpropanenitrile.
Chemical Property Profile of Methoxyphenyl(trifluoromethyl)acetonitrile
Property Insights of Methoxyphenyl(trifluoromethyl)acetonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methoxyphenyl(trifluoromethyl)acetonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, Methoxyphenyl(trifluoromethyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methoxyphenyl(trifluoromethyl)acetonitrile has 0 hydrogen bond donor(s) and 5 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 Methoxyphenyl(trifluoromethyl)acetonitrile?
The CAS number of Methoxyphenyl(trifluoromethyl)acetonitrile is 80866-87-1.
What is the molecular formula of Methoxyphenyl(trifluoromethyl)acetonitrile?
The molecular formula of Methoxyphenyl(trifluoromethyl)acetonitrile is C10H8F3NO.
What is the molecular weight of Methoxyphenyl(trifluoromethyl)acetonitrile?
The molecular weight of Methoxyphenyl(trifluoromethyl)acetonitrile is 215.06 g/mol.
Where can I buy Methoxyphenyl(trifluoromethyl)acetonitrile?
You can request a quote for Methoxyphenyl(trifluoromethyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methoxyphenyl(trifluoromethyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Methoxyphenyl(trifluoromethyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.