1-Fluoro-2-isocyanatoethane
TL;DR: 1-Fluoro-2-isocyanatoethane (CAS 505-12-4) is a chemical compound with molecular formula C3H4FNO and molecular weight 89.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-2-isocyanatoethane
Also Known As: 2-Fluoroethyl isocyanate, 1-fluoro-2-isocyanatoethane, 2-Fluor-aethylisocyanat, 1-fluoro-2isocyanatoethane, ISOCYANIC ACID, 2-FLUOROETHYL ESTER
| Molecular Formula | C3H4FNO |
|---|---|
| Molecular Weight | 89.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 89.027695 |
| Heavy Atoms | 6 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 505-12-4 |
|---|---|
| SMILES | C(CF)N=C=O |
| InChIKey | JNAJXLFIFYAWRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Fluoro-2-isocyanatoethane (CAS 505-12-4), with molecular formula C3H4FNO and molecular weight 89.03 g/mol. IUPAC: 1-fluoro-2-isocyanatoethane.
Chemical Property Profile of 1-Fluoro-2-isocyanatoethane
Property Insights of 1-Fluoro-2-isocyanatoethane
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-2-isocyanatoethane. With a topological polar surface area (TPSA) of 29.4 Ų, 1-Fluoro-2-isocyanatoethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-2-isocyanatoethane 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 1-Fluoro-2-isocyanatoethane?
The CAS number of 1-Fluoro-2-isocyanatoethane is 505-12-4.
What is the molecular formula of 1-Fluoro-2-isocyanatoethane?
The molecular formula of 1-Fluoro-2-isocyanatoethane is C3H4FNO.
What is the molecular weight of 1-Fluoro-2-isocyanatoethane?
The molecular weight of 1-Fluoro-2-isocyanatoethane is 89.03 g/mol.
Where can I buy 1-Fluoro-2-isocyanatoethane?
You can request a quote for 1-Fluoro-2-isocyanatoethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Fluoro-2-isocyanatoethane?
Yes, KEHONG BIO provides custom synthesis services for 1-Fluoro-2-isocyanatoethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.