1,1-Bis(difluoromethyl)ethyl isocyanate
TL;DR: 1,1-Bis(difluoromethyl)ethyl isocyanate (CAS 19755-56-7) is a chemical compound with molecular formula C5H3F6NO and molecular weight 207.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3,3-hexafluoro-2-isocyanato-2-methylpropane
Also Known As: hexafluoro-t-butyl isocyanate, 1,1-Bis(difluoromethyl)ethyl isocyanate, (1,1,1,3,3,3-hexafluoro-2-methylprop-2-yl)isocyanate, 1,1,1,3,3,3-hexafluoro-2-isocyanato-2-methylpropane
| Molecular Formula | C5H3F6NO |
|---|---|
| Molecular Weight | 207.01 g/mol |
| LogP | 2.2055 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.01189 |
| Heavy Atoms | 13 |
| Complexity | 220.38962 |
Chemical Identifiers
| CAS Number | 19755-56-7 |
|---|---|
| SMILES | CC(C(F)(F)F)(C(F)(F)F)N=C=O |
Product Overview
1,1-Bis(difluoromethyl)ethyl isocyanate (CAS 19755-56-7), with molecular formula C5H3F6NO and molecular weight 207.01 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoro-2-isocyanato-2-methylpropane.
Chemical Property Profile of 1,1-Bis(difluoromethyl)ethyl isocyanate
Property Insights of 1,1-Bis(difluoromethyl)ethyl isocyanate
The XLogP value of 2.2055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Bis(difluoromethyl)ethyl isocyanate. With a topological polar surface area (TPSA) of 29.43 Ų, 1,1-Bis(difluoromethyl)ethyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Bis(difluoromethyl)ethyl isocyanate 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 1,1-Bis(difluoromethyl)ethyl isocyanate?
The CAS number of 1,1-Bis(difluoromethyl)ethyl isocyanate is 19755-56-7.
What is the molecular formula of 1,1-Bis(difluoromethyl)ethyl isocyanate?
The molecular formula of 1,1-Bis(difluoromethyl)ethyl isocyanate is C5H3F6NO.
What is the molecular weight of 1,1-Bis(difluoromethyl)ethyl isocyanate?
The molecular weight of 1,1-Bis(difluoromethyl)ethyl isocyanate is 207.01 g/mol.
Where can I buy 1,1-Bis(difluoromethyl)ethyl isocyanate?
You can request a quote for 1,1-Bis(difluoromethyl)ethyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis(difluoromethyl)ethyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis(difluoromethyl)ethyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.