2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one
TL;DR: 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one (CAS 101667-97-4) is a chemical compound with molecular formula C12H13BrF6O2 and molecular weight 382.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-one
Also Known As: 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one, 2-bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-one, 2-Cyclohexen-1-one, 2-bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-, 2-Cyclohexen-1-one,2-bromo-3,5,5-trimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-, 2-bromo-3,5,5-trimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]cyclohex-2-en-1-one
| Molecular Formula | C12H13BrF6O2 |
|---|---|
| Molecular Weight | 382.00 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 382.0003 |
| Heavy Atoms | 21 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 101667-97-4 |
|---|---|
| SMILES | CC1=C(C(=O)C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O)Br |
| InChIKey | DPQCPKKVUDMATE-UHFFFAOYSA-N |
Product Overview
2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one (CAS 101667-97-4), with molecular formula C12H13BrF6O2 and molecular weight 382.00 g/mol. IUPAC: 2-bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-one.
Chemical Property Profile of 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one
Property Insights of 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one
The XLogP value of 4.6 indicates that 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-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 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one?
The CAS number of 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one is 101667-97-4.
What is the molecular formula of 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one?
The molecular formula of 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one is C12H13BrF6O2.
What is the molecular weight of 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one?
The molecular weight of 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one is 382.00 g/mol.
Where can I buy 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one?
You can request a quote for 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-2-cyclohexene-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.