3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one
TL;DR: 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one (CAS 199804-00-7) is a chemical compound with molecular formula C11H10ClF3O and molecular weight 250.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-[3-(trifluoromethyl)phenyl]butan-2-one
Also Known As: 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one, 3-chloro-4-[3-(trifluoromethyl)phenyl]butan-2-one, 3-CHLORO-4-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)-2-BUTANONE
| Molecular Formula | C11H10ClF3O |
|---|---|
| Molecular Weight | 250.04 g/mol |
| LogP | 3.4443 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.03723 |
| Heavy Atoms | 16 |
| Complexity | 387.06122 |
Chemical Identifiers
| CAS Number | 199804-00-7 |
|---|---|
| SMILES | CC(=O)C(CC1=CC(=CC=C1)C(F)(F)F)Cl |
Product Overview
3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one (CAS 199804-00-7), with molecular formula C11H10ClF3O and molecular weight 250.04 g/mol. IUPAC: 3-chloro-4-[3-(trifluoromethyl)phenyl]butan-2-one.
Chemical Property Profile of 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one
Property Insights of 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one
The XLogP value of 3.4443 indicates that 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one has 0 hydrogen bond donor(s) and 1 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-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one?
The CAS number of 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one is 199804-00-7.
What is the molecular formula of 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one?
The molecular formula of 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one is C11H10ClF3O.
What is the molecular weight of 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one?
The molecular weight of 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one is 250.04 g/mol.
Where can I buy 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one?
You can request a quote for 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(3-(trifluoromethyl)phenyl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.