1,1,1,2,2-Pentafluorohexan-3-one
TL;DR: 1,1,1,2,2-Pentafluorohexan-3-one (CAS 357-46-0) 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-pentafluorohexan-3-one
Also Known As: 1,1,1,2,2-pentafluorohexan-3-one, KST-1B4010, 3-Hexanone,1,1,1,2,2-pentafluoro-, 1,1,1,2,2-Pentafluor-hexan-3-on
| Molecular Formula | C6H7F5O |
|---|---|
| Molecular Weight | 190.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.0417 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 357-46-0 |
|---|---|
| SMILES | CCCC(=O)C(C(F)(F)F)(F)F |
| InChIKey | UOJGCHPCUKULKE-UHFFFAOYSA-N |
Product Overview
1,1,1,2,2-Pentafluorohexan-3-one (CAS 357-46-0), with molecular formula C6H7F5O and molecular weight 190.04 g/mol. IUPAC: 1,1,1,2,2-pentafluorohexan-3-one.
Chemical Property Profile of 1,1,1,2,2-Pentafluorohexan-3-one
Property Insights of 1,1,1,2,2-Pentafluorohexan-3-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,2,2-Pentafluorohexan-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1,1,2,2-Pentafluorohexan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,2,2-Pentafluorohexan-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-Pentafluorohexan-3-one?
The CAS number of 1,1,1,2,2-Pentafluorohexan-3-one is 357-46-0.
What is the molecular formula of 1,1,1,2,2-Pentafluorohexan-3-one?
The molecular formula of 1,1,1,2,2-Pentafluorohexan-3-one is C6H7F5O.
What is the molecular weight of 1,1,1,2,2-Pentafluorohexan-3-one?
The molecular weight of 1,1,1,2,2-Pentafluorohexan-3-one is 190.04 g/mol.
Where can I buy 1,1,1,2,2-Pentafluorohexan-3-one?
You can request a quote for 1,1,1,2,2-Pentafluorohexan-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-Pentafluorohexan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,2,2-Pentafluorohexan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.