六氟丙酮
TL;DR: 六氟丙酮 (CAS 684-16-2) is a chemical compound with molecular formula C3F6O and molecular weight 165.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
六氟丙酮
1,1,1,3,3,3-hexafluoropropan-2-one
Also Known As: Hexafluoroacetone, Perfluoroacetone, Perfluoro-2-propanone, Acetone, hexafluoro-, Hexafluoropropanone
| Molecular Formula | C3F6O |
|---|---|
| Molecular Weight | 165.99 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.98534 |
| Heavy Atoms | 10 |
| Complexity | 124.0 |
| Melting Point | -122.2 °C |
| Boiling Point | -27.8 °C at 760 mmHg |
| Density | 1.33 G/ML @ 25 °C (LIQUID) |
| Solubility | Reacts with water (NIOSH, 2024) |
| Vapor Pressure | 5.8 atm |
Chemical Identifiers
| CAS Number | 684-16-2 |
|---|---|
| SMILES | C(=O)(C(F)(F)F)C(F)(F)F |
| InChIKey | VBZWSGALLODQNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
六氟丙酮 (CAS 684-16-2), with molecular formula C3F6O and molecular weight 165.99 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoropropan-2-one.
Chemical Property Profile of 六氟丙酮
Property Insights of 六氟丙酮
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 六氟丙酮. With a topological polar surface area (TPSA) of 17.1 Ų, 六氟丙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 六氟丙酮 has 0 hydrogen bond donor(s) and 7 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 六氟丙酮?
The CAS number of 六氟丙酮 is 684-16-2.
What is the molecular formula of 六氟丙酮?
The molecular formula of 六氟丙酮 is C3F6O.
What is the molecular weight of 六氟丙酮?
The molecular weight of 六氟丙酮 is 165.99 g/mol.
Where can I buy 六氟丙酮?
You can request a quote for 六氟丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 六氟丙酮?
Yes, KEHONG BIO provides custom synthesis services for 六氟丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.