1,1-Difluoro-1-isocyanatoethane
TL;DR: 1,1-Difluoro-1-isocyanatoethane (CAS 1645-88-1) is a chemical compound with molecular formula C3H3F2NO and molecular weight 107.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-difluoro-1-isocyanatoethane
Also Known As: 1,1-Difluoro-1-isocyanatoethane, 1,1-Difluoroethyl isocyanate, Ethane, 1,1-difluoro-1-isocyanato-, 1,1-Difluoro-1-isocyanatoethane #, Isocyanic acid, 1,1-difluoroethyl ester
| Molecular Formula | C3H3F2NO |
|---|---|
| Molecular Weight | 107.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 107.01827 |
| Heavy Atoms | 7 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 1645-88-1 |
|---|---|
| SMILES | CC(N=C=O)(F)F |
| InChIKey | VLYGZVXKOGPMRK-UHFFFAOYSA-N |
Product Overview
1,1-Difluoro-1-isocyanatoethane (CAS 1645-88-1), with molecular formula C3H3F2NO and molecular weight 107.02 g/mol. IUPAC: 1,1-difluoro-1-isocyanatoethane.
Chemical Property Profile of 1,1-Difluoro-1-isocyanatoethane
Property Insights of 1,1-Difluoro-1-isocyanatoethane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Difluoro-1-isocyanatoethane. With a topological polar surface area (TPSA) of 29.4 Ų, 1,1-Difluoro-1-isocyanatoethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Difluoro-1-isocyanatoethane has 0 hydrogen bond donor(s) and 4 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-Difluoro-1-isocyanatoethane?
The CAS number of 1,1-Difluoro-1-isocyanatoethane is 1645-88-1.
What is the molecular formula of 1,1-Difluoro-1-isocyanatoethane?
The molecular formula of 1,1-Difluoro-1-isocyanatoethane is C3H3F2NO.
What is the molecular weight of 1,1-Difluoro-1-isocyanatoethane?
The molecular weight of 1,1-Difluoro-1-isocyanatoethane is 107.02 g/mol.
Where can I buy 1,1-Difluoro-1-isocyanatoethane?
You can request a quote for 1,1-Difluoro-1-isocyanatoethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Difluoro-1-isocyanatoethane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Difluoro-1-isocyanatoethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.