3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime
TL;DR: 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime (CAS 101564-55-0) is a chemical compound with molecular formula C9H13F6NO2 and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1,1,1-trifluoro-4-hydroxyimino-5,5-dimethyl-2-(trifluoromethyl)hexan-2-ol
Also Known As: 1,1,1-Trifluoro-2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)heptan-4-one, oxime, 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime, (4E)-1,1,1-trifluoro-4-hydroxyimino-5,5-dimethyl-2-(trifluoromethyl)hexan-2-ol, 1,1,1-Trifluoro-2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)hexan-4-one oxime, 1,1,1-trifluoro-4-(hydroxyimino)-5,5-dimethyl-2-(trifluoromethyl)hexan-2-ol
| Molecular Formula | C9H13F6NO2 |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 3.1085 |
| Topological Polar Surface Area | 52.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.08505 |
| Heavy Atoms | 18 |
| Complexity | 311.42023 |
Chemical Identifiers
| CAS Number | 101564-55-0 |
|---|---|
| SMILES | CC(C)(C)/C(=N/O)/CC(C(F)(F)F)(C(F)(F)F)O |
Product Overview
3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime (CAS 101564-55-0), with molecular formula C9H13F6NO2 and molecular weight 281.09 g/mol. IUPAC: (4E)-1,1,1-trifluoro-4-hydroxyimino-5,5-dimethyl-2-(trifluoromethyl)hexan-2-ol.
Chemical Property Profile of 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime
Property Insights of 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime
The XLogP value of 3.1085 indicates that 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.82 Ų, 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime has 2 hydrogen bond donor(s) and 3 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 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime?
The CAS number of 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime is 101564-55-0.
What is the molecular formula of 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime?
The molecular formula of 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime is C9H13F6NO2.
What is the molecular weight of 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime?
The molecular weight of 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime is 281.09 g/mol.
Where can I buy 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime?
You can request a quote for 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexanone, 2,2-dimethyl-5-hydroxy-1,1,1-trifluoro-2-(trifluoromethyl)-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.