1-Chloro-3-fluoro-propan-2-one
TL;DR: 1-Chloro-3-fluoro-propan-2-one (CAS 453-12-3) is a chemical compound with molecular formula C3H4ClFO and molecular weight 109.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-fluoropropan-2-one
Also Known As: 1-chloro-3-fluoropropan-2-one, 1-Fluoro-3-chloroacetone, 1-chloro-3-fluoropropanone, 1-CHLORO-3-FLUORO-PROPAN-2-ONE, 1-Fluoro-3-chloro-2-propanone
| Molecular Formula | C3H4ClFO |
|---|---|
| Molecular Weight | 109.99 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 109.99347 |
| Heavy Atoms | 6 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 453-12-3 |
|---|---|
| SMILES | C(C(=O)CCl)F |
| InChIKey | MAQXAAMLWBWVEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-3-fluoro-propan-2-one (CAS 453-12-3), with molecular formula C3H4ClFO and molecular weight 109.99 g/mol. IUPAC: 1-chloro-3-fluoropropan-2-one.
Chemical Property Profile of 1-Chloro-3-fluoro-propan-2-one
Property Insights of 1-Chloro-3-fluoro-propan-2-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-fluoro-propan-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Chloro-3-fluoro-propan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-fluoro-propan-2-one 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 1-Chloro-3-fluoro-propan-2-one?
The CAS number of 1-Chloro-3-fluoro-propan-2-one is 453-12-3.
What is the molecular formula of 1-Chloro-3-fluoro-propan-2-one?
The molecular formula of 1-Chloro-3-fluoro-propan-2-one is C3H4ClFO.
What is the molecular weight of 1-Chloro-3-fluoro-propan-2-one?
The molecular weight of 1-Chloro-3-fluoro-propan-2-one is 109.99 g/mol.
Where can I buy 1-Chloro-3-fluoro-propan-2-one?
You can request a quote for 1-Chloro-3-fluoro-propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-fluoro-propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-fluoro-propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.