1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone
TL;DR: 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone (CAS 385380-85-8) is a chemical compound with molecular formula C12H14FNO and molecular weight 207.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanone
Also Known As: 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanone, 1-(3-Fluoro-4-(pyrrolidin-1-yl)phenyl)ethanone, (2-fluoro-4-nitrophenyl)pyrrolidine, 1-[3-fluoro-4-(pyrrolidin-1-yl)phenyl]ethan-1-one, 1-acetyl-3-fluoro-4-pyrrolidinylbenzene
| Molecular Formula | C12H14FNO |
|---|---|
| Molecular Weight | 207.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.10594 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 385380-85-8 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)N2CCCC2)F |
| InChIKey | GETWGIMLYQVKIA-UHFFFAOYSA-N |
Product Overview
1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone (CAS 385380-85-8), with molecular formula C12H14FNO and molecular weight 207.11 g/mol. IUPAC: 1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanone.
Chemical Property Profile of 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone
Property Insights of 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone 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
Frequently Asked Questions
What is the CAS number of 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone?
The CAS number of 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone is 385380-85-8.
What is the molecular formula of 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone?
The molecular formula of 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone is C12H14FNO.
What is the molecular weight of 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone?
The molecular weight of 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone is 207.11 g/mol.
Where can I buy 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone?
You can request a quote for 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Fluoro-4-pyrrolidin-1-ylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.