6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one
TL;DR: 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one (CAS 35630-94-5) is a chemical compound with molecular formula C9H10F6O and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6,6-trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one
Also Known As: 2,6-dihydroxynicotinonitrile, 6,6,6-trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one, 4-Hexen-3-one,6,6,6-trifluoro-2,2-dimethyl-5-(trifluoromethyl)-, 4-Hexen-3-one, 2,2-dimethyl-6,6,6-trifluoro-5-(trifluoromethyl)-
| Molecular Formula | C9H10F6O |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.06358 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 35630-94-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)C=C(C(F)(F)F)C(F)(F)F |
| InChIKey | IREYLXYYOSRKLU-UHFFFAOYSA-N |
Product Overview
6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one (CAS 35630-94-5), with molecular formula C9H10F6O and molecular weight 248.06 g/mol. IUPAC: 6,6,6-trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one.
Chemical Property Profile of 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one
Property Insights of 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one
The XLogP value of 3.8 indicates that 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-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, 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one 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 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one?
The CAS number of 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one is 35630-94-5.
What is the molecular formula of 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one?
The molecular formula of 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one is C9H10F6O.
What is the molecular weight of 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one?
The molecular weight of 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one is 248.06 g/mol.
Where can I buy 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one?
You can request a quote for 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6,6,6-Trifluoro-2,2-dimethyl-5-(trifluoromethyl)hex-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.