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 89.027695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H4FNO |
| Molecular Weight | 89.027695 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 89.027695 Da |
| Heavy Atoms | 6 |
| Complexity | 67.0 |
| SMILES | C(CF)N=C=O |
| InChIKey | JNAJXLFIFYAWRN-UHFFFAOYSA-N |
Product Description
Applications: 1-Fluoro-2-isocyanatoethane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Fluoro-2-isocyanatoethane (CAS 505-12-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-Fluoro-2-isocyanatoethane (CAS 505-12-4) is a heterocyclic building block with the molecular formula C3H4FNO and a molecular weight of 89.03 g/mol. It is also known as 2-Fluoroethyl isocyanate and 1-fluoro-2-isocyanatoethane.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 89.027695 g/mol.
What are the applications of 1-Fluoro-2-isocyanatoethane?
1-Fluoro-2-isocyanatoethane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Fluoro-2-isocyanatoethane...
Where can I buy 1-Fluoro-2-isocyanatoethane?
You can request a quote for 1-Fluoro-2-isocyanatoethane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Fluoro-2-isocyanatoethane?
Yes, CoreyChem provides custom synthesis services for 1-Fluoro-2-isocyanatoethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.