4-Fluoro-2-hydroxybutanenitrile
TL;DR: 4-Fluoro-2-hydroxybutanenitrile (CAS 100700-39-8) 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.
4-fluoro-2-hydroxybutanenitrile
Also Known As: 4-fluoro-2-hydroxybutanenitrile, TL 1426, 4-Fluoro-2-hydroxybutyronitrile, BUTYRONITRILE, 4-FLUORO-2-HYDROXY-, Butyronitrile, gamma-fluoro-beta-hydroxy-
Technical Specifications
| Molecular Formula | C4H6FNO |
| Molecular Weight | 103.04334 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 103.04334 Da |
| Heavy Atoms | 7 |
| Complexity | 84.0 |
| SMILES | C(CF)C(C#N)O |
| InChIKey | JWCDABBCLIMHNC-UHFFFAOYSA-N |
Chemical Property Profile of 4-Fluoro-2-hydroxybutanenitrile
Property Insights of 4-Fluoro-2-hydroxybutanenitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-2-hydroxybutanenitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 4-Fluoro-2-hydroxybutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-2-hydroxybutanenitrile has 1 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 4-Fluoro-2-hydroxybutanenitrile?
The CAS number of 4-Fluoro-2-hydroxybutanenitrile is 100700-39-8.
What is the molecular formula of 4-Fluoro-2-hydroxybutanenitrile?
The molecular formula of 4-Fluoro-2-hydroxybutanenitrile is C4H6FNO.
What is the molecular weight of 4-Fluoro-2-hydroxybutanenitrile?
The molecular weight of 4-Fluoro-2-hydroxybutanenitrile is 103.04334 g/mol.
Where can I buy 4-Fluoro-2-hydroxybutanenitrile?
You can request a quote for 4-Fluoro-2-hydroxybutanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Fluoro-2-hydroxybutanenitrile?
Yes, CoreyChem provides custom synthesis services for 4-Fluoro-2-hydroxybutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.