1-Fluoro-4-(isocyanatomethyl)benzene
TL;DR: 1-Fluoro-4-(isocyanatomethyl)benzene (CAS 132740-43-3) is a chemical compound with molecular formula C8H6FNO and molecular weight 151.04333 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-fluoro-4-(isocyanatomethyl)benzene
Also Known As: 4-Fluorobenzyl isocyanate, 1-fluoro-4-(isocyanatomethyl)benzene, 4-FLUOROBENZylisoCYANATE, null, 4-fluorobezylisocyanate
Technical Specifications
| Molecular Formula | C8H6FNO |
| Molecular Weight | 151.04333 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.04333 Da |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
| SMILES | C1=CC(=CC=C1CN=C=O)F |
| InChIKey | HHSIWJYERNCLKQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Fluoro-4-(isocyanatomethyl)benzene
Property Insights of 1-Fluoro-4-(isocyanatomethyl)benzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Fluoro-4-(isocyanatomethyl)benzene. With a topological polar surface area (TPSA) of 29.4 Ų, 1-Fluoro-4-(isocyanatomethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Fluoro-4-(isocyanatomethyl)benzene 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-(isocyanatomethyl)benzene?
The CAS number of 1-Fluoro-4-(isocyanatomethyl)benzene is 132740-43-3.
What is the molecular formula of 1-Fluoro-4-(isocyanatomethyl)benzene?
The molecular formula of 1-Fluoro-4-(isocyanatomethyl)benzene is C8H6FNO.
What is the molecular weight of 1-Fluoro-4-(isocyanatomethyl)benzene?
The molecular weight of 1-Fluoro-4-(isocyanatomethyl)benzene is 151.04333 g/mol.
Where can I buy 1-Fluoro-4-(isocyanatomethyl)benzene?
You can request a quote for 1-Fluoro-4-(isocyanatomethyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Fluoro-4-(isocyanatomethyl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-Fluoro-4-(isocyanatomethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.