3'-Fluoro-5'-(trifluoromethyl)propiophenone
TL;DR: 3'-Fluoro-5'-(trifluoromethyl)propiophenone (CAS 98349-24-7) is a chemical compound with molecular formula C10H8F4O and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-one
Also Known As: 3'-Fluoro-5'-(trifluoromethyl)propiophenone, 1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-one, 3-Fluoro-5-(trifluoromethyl)propiophenone, 7077AD, Ethyl 2,4,5-trifluorobenzoylacetate
| Molecular Formula | C10H8F4O |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.05113 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 98349-24-7 |
|---|---|
| SMILES | CCC(=O)C1=CC(=CC(=C1)F)C(F)(F)F |
| InChIKey | KEAIAOPGXGEINJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Fluoro-5'-(trifluoromethyl)propiophenone (CAS 98349-24-7), with molecular formula C10H8F4O and molecular weight 220.05 g/mol. IUPAC: 1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-one.
Chemical Property Profile of 3'-Fluoro-5'-(trifluoromethyl)propiophenone
Property Insights of 3'-Fluoro-5'-(trifluoromethyl)propiophenone
The XLogP value of 3.1 indicates that 3'-Fluoro-5'-(trifluoromethyl)propiophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3'-Fluoro-5'-(trifluoromethyl)propiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Fluoro-5'-(trifluoromethyl)propiophenone has 0 hydrogen bond donor(s) and 5 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'-Fluoro-5'-(trifluoromethyl)propiophenone?
The CAS number of 3'-Fluoro-5'-(trifluoromethyl)propiophenone is 98349-24-7.
What is the molecular formula of 3'-Fluoro-5'-(trifluoromethyl)propiophenone?
The molecular formula of 3'-Fluoro-5'-(trifluoromethyl)propiophenone is C10H8F4O.
What is the molecular weight of 3'-Fluoro-5'-(trifluoromethyl)propiophenone?
The molecular weight of 3'-Fluoro-5'-(trifluoromethyl)propiophenone is 220.05 g/mol.
Where can I buy 3'-Fluoro-5'-(trifluoromethyl)propiophenone?
You can request a quote for 3'-Fluoro-5'-(trifluoromethyl)propiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Fluoro-5'-(trifluoromethyl)propiophenone?
Yes, KEHONG BIO provides custom synthesis services for 3'-Fluoro-5'-(trifluoromethyl)propiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.