2-Fluoro-4-isopropoxyaniline
TL;DR: 2-Fluoro-4-isopropoxyaniline (CAS 154080-04-3) is a chemical compound with molecular formula C9H12FNO and molecular weight 169.09029 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-fluoro-4-propan-2-yloxyaniline
Also Known As: 2-Fluoro-4-isopropoxyaniline, 2-fluoro-4-propan-2-yloxyaniline, 2-fluoro-4-(propan-2-yloxy)aniline, 4-Isopropoxy-2-fluoroaniline, Benzenamine, 2-fluoro-4-(1-methylethoxy)-
Technical Specifications
| Molecular Formula | C9H12FNO |
| Molecular Weight | 169.09029 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.09029 Da |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
| SMILES | CC(C)OC1=CC(=C(C=C1)N)F |
| InChIKey | BUPRTGYJYJWLSK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Fluoro-4-isopropoxyaniline
Property Insights of 2-Fluoro-4-isopropoxyaniline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-4-isopropoxyaniline. With a topological polar surface area (TPSA) of 35.3 Ų, 2-Fluoro-4-isopropoxyaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4-isopropoxyaniline 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 2-Fluoro-4-isopropoxyaniline?
The CAS number of 2-Fluoro-4-isopropoxyaniline is 154080-04-3.
What is the molecular formula of 2-Fluoro-4-isopropoxyaniline?
The molecular formula of 2-Fluoro-4-isopropoxyaniline is C9H12FNO.
What is the molecular weight of 2-Fluoro-4-isopropoxyaniline?
The molecular weight of 2-Fluoro-4-isopropoxyaniline is 169.09029 g/mol.
Where can I buy 2-Fluoro-4-isopropoxyaniline?
You can request a quote for 2-Fluoro-4-isopropoxyaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Fluoro-4-isopropoxyaniline?
Yes, CoreyChem provides custom synthesis services for 2-Fluoro-4-isopropoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.