2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)-
TL;DR: 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)- (CAS 101931-66-2) is a chemical compound with molecular formula C6H5ClF6O2 and molecular weight 257.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-one
Also Known As: NIOSH/SA8147000, 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)-, 3-Chloro-1,1,1-trifluoro-2-hydroxy-2-(trifluoromethyl)-4-pentanone, 1-chloro-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-one, 5-Chloro-1,1,1-trifluoro-2-hydroxy-2-(trifluoromethyl)-4-pentanone
| Molecular Formula | C6H5ClF6O2 |
|---|---|
| Molecular Weight | 257.99 g/mol |
| LogP | 2.0401 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.98822 |
| Heavy Atoms | 15 |
| Complexity | 230.98712 |
Chemical Identifiers
| CAS Number | 101931-66-2 |
|---|---|
| SMILES | C(C(=O)CCl)C(C(F)(F)F)(C(F)(F)F)O |
Product Overview
2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)- (CAS 101931-66-2), with molecular formula C6H5ClF6O2 and molecular weight 257.99 g/mol. IUPAC: 1-chloro-5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-one.
Chemical Property Profile of 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)-
Property Insights of 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)-
The XLogP value of 2.0401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)- has 1 hydrogen bond donor(s) and 2 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-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)-?
The CAS number of 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)- is 101931-66-2.
What is the molecular formula of 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)-?
The molecular formula of 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)- is C6H5ClF6O2.
What is the molecular weight of 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)-?
The molecular weight of 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)- is 257.99 g/mol.
Where can I buy 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)-?
You can request a quote for 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentanone, 1-chloro-4-hydroxy-5,5,5-trifluoro-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.