Isocyanic acid, 3-fluoropropyl ester
TL;DR: Isocyanic acid, 3-fluoropropyl ester (CAS 407-99-8) is a chemical compound with molecular formula C4H6FNO and molecular weight 103.04334 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-fluoro-3-isocyanatopropane
Also Known As: 1-fluoro-3-isocyanatopropane, 3-Fluoropropyl isocyanate, fluoropropyl isocyanate, 1-Fluor-3-isocyanato-propan, ISOCYANIC ACID, 3-FLUOROPROPYL ESTER
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6FNO |
| Molecular Weight | 103.04334 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 103.04334 Da |
| Heavy Atoms | 7 |
| Complexity | 77.0 |
| SMILES | C(CN=C=O)CF |
| InChIKey | QNUBQVQVKVHSFL-UHFFFAOYSA-N |
Product Description
Applications: Isocyanic acid, 3-fluoropropyl ester is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Isocyanic acid, 3-fluoropropyl ester (CAS 407-99-8) is a heterocyclic building block with the molecular formula C4H6FNO and a molecular weight of 103.04 g/mol. Synonyms include 1-fluoro-3-isocyanatopropane and 3-Fluoropropyl 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 Isocyanic acid, 3-fluoropropyl ester
Property Insights of Isocyanic acid, 3-fluoropropyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isocyanic acid, 3-fluoropropyl ester. With a topological polar surface area (TPSA) of 29.4 Ų, Isocyanic acid, 3-fluoropropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isocyanic acid, 3-fluoropropyl ester 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 Isocyanic acid, 3-fluoropropyl ester?
The CAS number of Isocyanic acid, 3-fluoropropyl ester is 407-99-8.
What is the molecular formula of Isocyanic acid, 3-fluoropropyl ester?
The molecular formula of Isocyanic acid, 3-fluoropropyl ester is C4H6FNO.
What is the molecular weight of Isocyanic acid, 3-fluoropropyl ester?
The molecular weight of Isocyanic acid, 3-fluoropropyl ester is 103.04334 g/mol.
What are the applications of Isocyanic acid, 3-fluoropropyl ester?
Isocyanic acid, 3-fluoropropyl ester is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from...
Where can I buy Isocyanic acid, 3-fluoropropyl ester?
You can request a quote for Isocyanic acid, 3-fluoropropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isocyanic acid, 3-fluoropropyl ester?
Yes, CoreyChem provides custom synthesis services for Isocyanic acid, 3-fluoropropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.