m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate
TL;DR: m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate (CAS 50844-57-0) is a chemical compound with molecular formula C9H5F4NO2 and molecular weight 235.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-3-(1,1,2,2-tetrafluoroethoxy)benzene
Also Known As: m- phenylisocyanate, m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate, EINECS 256-795-1, 1-isocyanato-3-(1,1,2,2-tetrafluoroethoxy)benzene, Benzene, 1-isocyanato-3-(1,1,2,2-tetrafluoroethoxy)-
| Molecular Formula | C9H5F4NO2 |
|---|---|
| Molecular Weight | 235.03 g/mol |
| LogP | 2.8906 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.02563 |
| Heavy Atoms | 16 |
| Complexity | 415.72495 |
Chemical Identifiers
| CAS Number | 50844-57-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(C(F)F)(F)F)N=C=O |
Product Overview
m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate (CAS 50844-57-0), with molecular formula C9H5F4NO2 and molecular weight 235.03 g/mol. IUPAC: 1-isocyanato-3-(1,1,2,2-tetrafluoroethoxy)benzene.
Chemical Property Profile of m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate
Property Insights of m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate
The XLogP value of 2.8906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate. With a topological polar surface area (TPSA) of 38.66 Ų, m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate has 0 hydrogen bond donor(s) and 3 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 m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate?
The CAS number of m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate is 50844-57-0.
What is the molecular formula of m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate?
The molecular formula of m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate is C9H5F4NO2.
What is the molecular weight of m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate?
The molecular weight of m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate is 235.03 g/mol.
Where can I buy m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate?
You can request a quote for m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for m-(1,1,2,2-Tetrafluoroethoxy)phenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.