2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)-
TL;DR: 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)- (CAS 1019-85-8) is a chemical compound with molecular formula C6H5ClF6O and molecular weight 241.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)pentan-2-one
Also Known As: 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)-, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)pentan-2-one, 4-Chloro-5,5,5-trifluoro-4-trifluoromethyl-2-pentanone, 2-Pentanone,4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)-, 2-Pentanone,4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)
| Molecular Formula | C6H5ClF6O |
|---|---|
| Molecular Weight | 241.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.99332 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 1019-85-8 |
|---|---|
| SMILES | CC(=O)CC(C(F)(F)F)(C(F)(F)F)Cl |
| InChIKey | RHBJHTMRXIJSIX-UHFFFAOYSA-N |
Product Overview
2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)- (CAS 1019-85-8), with molecular formula C6H5ClF6O and molecular weight 241.99 g/mol. IUPAC: 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)pentan-2-one.
Chemical Property Profile of 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)-
Property Insights of 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)- 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 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)-?
The CAS number of 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)- is 1019-85-8.
What is the molecular formula of 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)-?
The molecular formula of 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)- is C6H5ClF6O.
What is the molecular weight of 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)-?
The molecular weight of 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)- is 241.99 g/mol.
Where can I buy 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)-?
You can request a quote for 2-Pentanone, 4-chloro-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, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentanone, 4-chloro-5,5,5-trifluoro-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.