1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one
TL;DR: 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one (CAS 40496-55-7) is a chemical compound with molecular formula C6H7F5O and molecular weight 190.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2,2-pentafluoro-4-methylpentan-3-one
Also Known As: perfluoroethyl isopropyl ketone, 1,1,1,2,2-PENTAFLUORO-4-METHYL-PENTAN-3-ONE, 1,1,1,2,2-pentafluoro-4-methylpentan-3-one, RefChem:212752
| Molecular Formula | C6H7F5O |
|---|---|
| Molecular Weight | 190.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.0417 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 40496-55-7 |
|---|---|
| SMILES | CC(C)C(=O)C(C(F)(F)F)(F)F |
| InChIKey | FCVMAXTWQAFQPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one (CAS 40496-55-7), with molecular formula C6H7F5O and molecular weight 190.04 g/mol. IUPAC: 1,1,1,2,2-pentafluoro-4-methylpentan-3-one.
Chemical Property Profile of 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one
Property Insights of 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one has 0 hydrogen bond donor(s) and 6 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 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one?
The CAS number of 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one is 40496-55-7.
What is the molecular formula of 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one?
The molecular formula of 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one is C6H7F5O.
What is the molecular weight of 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one?
The molecular weight of 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one is 190.04 g/mol.
Where can I buy 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one?
You can request a quote for 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,2,2-Pentafluoro-4-methyl-pentan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.