2-Fluoroacrolein
TL;DR: 2-Fluoroacrolein (CAS 13989-27-0) is a chemical compound with molecular formula C3H3FO and molecular weight 74.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoroprop-2-enal
Also Known As: 2-Fluoroacrolein, 2-fluoroprop-2-enal, 2-Fluoroacrylaldehyde, 2-Fluoropropenal, 2-Fluoro-propenal
| Molecular Formula | C3H3FO |
|---|---|
| Molecular Weight | 74.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 74.01679 |
| Heavy Atoms | 5 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 13989-27-0 |
|---|---|
| SMILES | C=C(C=O)F |
| InChIKey | MQBNWHZGDKLEHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluoroacrolein (CAS 13989-27-0), with molecular formula C3H3FO and molecular weight 74.02 g/mol. IUPAC: 2-fluoroprop-2-enal.
Chemical Property Profile of 2-Fluoroacrolein
Property Insights of 2-Fluoroacrolein
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoroacrolein. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Fluoroacrolein exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoroacrolein has 0 hydrogen bond donor(s) and 2 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 2-Fluoroacrolein?
The CAS number of 2-Fluoroacrolein is 13989-27-0.
What is the molecular formula of 2-Fluoroacrolein?
The molecular formula of 2-Fluoroacrolein is C3H3FO.
What is the molecular weight of 2-Fluoroacrolein?
The molecular weight of 2-Fluoroacrolein is 74.02 g/mol.
Where can I buy 2-Fluoroacrolein?
You can request a quote for 2-Fluoroacrolein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoroacrolein?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoroacrolein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.