1,1,1,7,7,7-Hexafluoro-4-heptanone
TL;DR: 1,1,1,7,7,7-Hexafluoro-4-heptanone (CAS 332-86-5) is a chemical compound with molecular formula C7H8F6O and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,7,7,7-hexafluoroheptan-4-one
Also Known As: 1,1,1,7,7,7-hexafluoroheptan-4-one, 1,1,1,7,7,7-Hexafluoro-4-heptanone, 4-Heptanone, 1,1,1,7,7,7-hexafluoro-, 1,1,1,7,7,7-hexafluoro-heptan-4-one, 1,1,1,7,7,7-Hexafluoro-4-heptanone #
| Molecular Formula | C7H8F6O |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.04793 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 332-86-5 |
|---|---|
| SMILES | C(CC(F)(F)F)C(=O)CCC(F)(F)F |
| InChIKey | WLFTZMAAXHUNDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,7,7,7-Hexafluoro-4-heptanone (CAS 332-86-5), with molecular formula C7H8F6O and molecular weight 222.05 g/mol. IUPAC: 1,1,1,7,7,7-hexafluoroheptan-4-one.
Chemical Property Profile of 1,1,1,7,7,7-Hexafluoro-4-heptanone
Property Insights of 1,1,1,7,7,7-Hexafluoro-4-heptanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,7,7,7-Hexafluoro-4-heptanone. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1,1,7,7,7-Hexafluoro-4-heptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,7,7,7-Hexafluoro-4-heptanone 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 1,1,1,7,7,7-Hexafluoro-4-heptanone?
The CAS number of 1,1,1,7,7,7-Hexafluoro-4-heptanone is 332-86-5.
What is the molecular formula of 1,1,1,7,7,7-Hexafluoro-4-heptanone?
The molecular formula of 1,1,1,7,7,7-Hexafluoro-4-heptanone is C7H8F6O.
What is the molecular weight of 1,1,1,7,7,7-Hexafluoro-4-heptanone?
The molecular weight of 1,1,1,7,7,7-Hexafluoro-4-heptanone is 222.05 g/mol.
Where can I buy 1,1,1,7,7,7-Hexafluoro-4-heptanone?
You can request a quote for 1,1,1,7,7,7-Hexafluoro-4-heptanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,7,7,7-Hexafluoro-4-heptanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,7,7,7-Hexafluoro-4-heptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.