1-Cyano-1-phenyl-2,2,2-trifluoroethanol
TL;DR: 1-Cyano-1-phenyl-2,2,2-trifluoroethanol (CAS 93923-55-8) is a chemical compound with molecular formula C9H6F3NO and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,3-trifluoro-2-hydroxy-2-phenylpropanenitrile
Also Known As: 1-Cyano-1-phenyl-2,2,2-trifluoroethanol, 3,3,3-trifluoro-2-hydroxy-2-phenylpropanenitrile, 1-cyano-2,2,2-trifluoro-1-phenyl-ethanol, 1-CYANO-1-PHENYL-222-TRIFLUOROETHANOL&, 1-Cyano-1-phenyl-2,2,2-trifluoroethanol, 97%
| Molecular Formula | C9H6F3NO |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | 1.96008 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.04015 |
| Heavy Atoms | 14 |
| Complexity | 354.5601 |
Chemical Identifiers
| CAS Number | 93923-55-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)(C(F)(F)F)O |
Product Overview
1-Cyano-1-phenyl-2,2,2-trifluoroethanol (CAS 93923-55-8), with molecular formula C9H6F3NO and molecular weight 201.04 g/mol. IUPAC: 3,3,3-trifluoro-2-hydroxy-2-phenylpropanenitrile.
Chemical Property Profile of 1-Cyano-1-phenyl-2,2,2-trifluoroethanol
Property Insights of 1-Cyano-1-phenyl-2,2,2-trifluoroethanol
The XLogP value of 1.96008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyano-1-phenyl-2,2,2-trifluoroethanol. With a topological polar surface area (TPSA) of 44.02 Ų, 1-Cyano-1-phenyl-2,2,2-trifluoroethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyano-1-phenyl-2,2,2-trifluoroethanol has 1 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 1-Cyano-1-phenyl-2,2,2-trifluoroethanol?
The CAS number of 1-Cyano-1-phenyl-2,2,2-trifluoroethanol is 93923-55-8.
What is the molecular formula of 1-Cyano-1-phenyl-2,2,2-trifluoroethanol?
The molecular formula of 1-Cyano-1-phenyl-2,2,2-trifluoroethanol is C9H6F3NO.
What is the molecular weight of 1-Cyano-1-phenyl-2,2,2-trifluoroethanol?
The molecular weight of 1-Cyano-1-phenyl-2,2,2-trifluoroethanol is 201.04 g/mol.
Where can I buy 1-Cyano-1-phenyl-2,2,2-trifluoroethanol?
You can request a quote for 1-Cyano-1-phenyl-2,2,2-trifluoroethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyano-1-phenyl-2,2,2-trifluoroethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyano-1-phenyl-2,2,2-trifluoroethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.