1-Fluoro-4-isocyanatobutane
TL;DR: 1-Fluoro-4-isocyanatobutane (CAS 353-16-2) is a chemical compound with molecular formula C5H8FNO and molecular weight 117.05899 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-fluoro-4-isocyanatobutane
Also Known As: 1-fluoro-4-isocyanatobutane, 4-Fluorobutyl isocyanate, 4-Fluor-butylisocyanat, 4-Fluorobutylisocyanate, ISOCYANIC ACID, 4-FLUOROBUTYL ESTER
Technical Specifications
| Molecular Formula | C5H8FNO |
| Molecular Weight | 117.05899 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 117.05899 Da |
| Heavy Atoms | 8 |
| Complexity | 88.0 |
| SMILES | C(CCF)CN=C=O |
| InChIKey | WPILDNCAFFGLCC-UHFFFAOYSA-N |
Product Description
Applications: 1-Fluoro-4-isocyanatobutane is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Fluoro-4-isocyanatobutane (CAS 353-16-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-Fluoro-4-isocyanatobutane (CAS 353-16-2) is a fine chemical with the molecular formula C5H8FNO and a molecular weight of 117.06 g/mol. It is also known as 1-fluoro-4-isocyanatobutane and 4-Fluorobutyl isocyanate.
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-4-isocyanatobutane
Property Insights of 1-Fluoro-4-isocyanatobutane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-4-isocyanatobutane. With a topological polar surface area (TPSA) of 29.4 Ų, 1-Fluoro-4-isocyanatobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-4-isocyanatobutane 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-4-isocyanatobutane?
The CAS number of 1-Fluoro-4-isocyanatobutane is 353-16-2.
What is the molecular formula of 1-Fluoro-4-isocyanatobutane?
The molecular formula of 1-Fluoro-4-isocyanatobutane is C5H8FNO.
What is the molecular weight of 1-Fluoro-4-isocyanatobutane?
The molecular weight of 1-Fluoro-4-isocyanatobutane is 117.05899 g/mol.
What are the applications of 1-Fluoro-4-isocyanatobutane?
1-Fluoro-4-isocyanatobutane is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1-Fluoro-4-isocyanatobutane (CAS 353-16-2) with custom synthesis available from milligram to multi-kilogram scale, supported...
Where can I buy 1-Fluoro-4-isocyanatobutane?
You can request a quote for 1-Fluoro-4-isocyanatobutane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Fluoro-4-isocyanatobutane?
Yes, CoreyChem provides custom synthesis services for 1-Fluoro-4-isocyanatobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.