1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one
TL;DR: 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one (CAS 95639-15-9) is a chemical compound with molecular formula C9F18O and molecular weight 465.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,2,4,5,5,6,6,7,7,7-dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one
Also Known As: Perfluoro 2,4-dimethylheptan-3-one, 1,1,1,2,4,5,5,6,6,7,7,7-dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one, 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis -3-heptanone, 1,1,1,2,4,5,5,6,6,7,7,7-dodecafluoro-2,4-bis(trifluoromethyl, 1,1,1,2,4,5,5,6,6,7,7,7-DODECAFLUORO-2,4-BIS(TRIFLUOROMETHYL)-3-HEPTAN ONE
| Molecular Formula | C9F18O |
|---|---|
| Molecular Weight | 465.97 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 4 |
| Exact Mass | 465.9662 |
| Heavy Atoms | 28 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 95639-15-9 |
|---|---|
| SMILES | C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F |
| InChIKey | BYBDWBSXTHRODY-UHFFFAOYSA-N |
Product Overview
1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one (CAS 95639-15-9), with molecular formula C9F18O and molecular weight 465.97 g/mol. IUPAC: 1,1,1,2,4,5,5,6,6,7,7,7-dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one.
Chemical Property Profile of 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one
Property Insights of 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one
The XLogP value of 6.2 indicates that 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one has 0 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one?
The CAS number of 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one is 95639-15-9.
What is the molecular formula of 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one?
The molecular formula of 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one is C9F18O.
What is the molecular weight of 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one?
The molecular weight of 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one is 465.97 g/mol.
Where can I buy 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one?
You can request a quote for 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,2,4,5,5,6,6,7,7,7-Dodecafluoro-2,4-bis(trifluoromethyl)heptan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.