1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one
TL;DR: 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one (CAS 1694-30-0) is a chemical compound with molecular formula C5H2F6O2 and molecular weight 208.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one
Also Known As: Hexafluoroacetylacetone, 3H-Perfluoro-4-hydroxy-3-penten-2-one, 1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one, 3-Penten-2-one, 1,1,1,5,5,5-hexafluoro-4-hydroxy-
| Molecular Formula | C5H2F6O2 |
|---|---|
| Molecular Weight | 208.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.9959 |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 1694-30-0 |
|---|---|
| SMILES | C(=C(C(F)(F)F)O)C(=O)C(F)(F)F |
| InChIKey | ZUSKFDORJCVUSD-UHFFFAOYSA-N |
Product Overview
1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one (CAS 1694-30-0), with molecular formula C5H2F6O2 and molecular weight 208.00 g/mol. IUPAC: 1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one.
Chemical Property Profile of 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one
Property Insights of 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one. With a topological polar surface area (TPSA) of 37.3 Ų, 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one has 1 hydrogen bond donor(s) and 8 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 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one?
The CAS number of 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one is 1694-30-0.
What is the molecular formula of 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one?
The molecular formula of 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one is C5H2F6O2.
What is the molecular weight of 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one?
The molecular weight of 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one is 208.00 g/mol.
Where can I buy 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one?
You can request a quote for 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.