Trifluoroacetylisocyanate
TL;DR: Trifluoroacetylisocyanate (CAS 14565-32-3) is a chemical compound with molecular formula C3F3NO2 and molecular weight 138.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroacetyl isocyanate
Also Known As: 2,2,2-trifluoroacetyl isocyanate, trifluoroethanecarbonyl isocyanate, Trifluoro-acetyl isocyanate, trifluoroacetyl isocyanate, TRIFLUOROACETYL ISOCYANATE,
| Molecular Formula | C3F3NO2 |
|---|---|
| Molecular Weight | 138.99 g/mol |
| LogP | 0.4111 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.98811 |
| Heavy Atoms | 9 |
| Complexity | 166.3869 |
Chemical Identifiers
| CAS Number | 14565-32-3 |
|---|---|
| SMILES | C(=NC(=O)C(F)(F)F)=O |
Product Overview
Trifluoroacetylisocyanate (CAS 14565-32-3), with molecular formula C3F3NO2 and molecular weight 138.99 g/mol. IUPAC: 2,2,2-trifluoroacetyl isocyanate.
Chemical Property Profile of Trifluoroacetylisocyanate
Property Insights of Trifluoroacetylisocyanate
The XLogP value of 0.4111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trifluoroacetylisocyanate. With a topological polar surface area (TPSA) of 46.5 Ų, Trifluoroacetylisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trifluoroacetylisocyanate 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 Trifluoroacetylisocyanate?
The CAS number of Trifluoroacetylisocyanate is 14565-32-3.
What is the molecular formula of Trifluoroacetylisocyanate?
The molecular formula of Trifluoroacetylisocyanate is C3F3NO2.
What is the molecular weight of Trifluoroacetylisocyanate?
The molecular weight of Trifluoroacetylisocyanate is 138.99 g/mol.
Where can I buy Trifluoroacetylisocyanate?
You can request a quote for Trifluoroacetylisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trifluoroacetylisocyanate?
Yes, KEHONG BIO provides custom synthesis services for Trifluoroacetylisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.