1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone
TL;DR: 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone (CAS 21906-39-8) is a chemical compound with molecular formula C10H9F3O and molecular weight 202.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(trifluoromethyl)phenyl]propan-2-one
Also Known As: 3-(Trifluoromethyl)phenylacetone, 1-[3-(trifluoromethyl)phenyl]propan-2-one, 1-[3-(Trifluoromethyl)phenyl]-2-propanone, 1-[3-(Trifluoromethyl)phenyl]acetone, m-(trifluoromethyl)phenylacetone
| Molecular Formula | C10H9F3O |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.06055 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 21906-39-8 |
|---|---|
| SMILES | CC(=O)CC1=CC(=CC=C1)C(F)(F)F |
| InChIKey | JPHQCDCEBDRIOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone (CAS 21906-39-8), with molecular formula C10H9F3O and molecular weight 202.06 g/mol. IUPAC: 1-[3-(trifluoromethyl)phenyl]propan-2-one.
Chemical Property Profile of 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone
Property Insights of 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone has 0 hydrogen bond donor(s) and 4 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 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone?
The CAS number of 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone is 21906-39-8.
What is the molecular formula of 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone?
The molecular formula of 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone is C10H9F3O.
What is the molecular weight of 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone?
The molecular weight of 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone is 202.06 g/mol.
Where can I buy 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone?
You can request a quote for 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.