1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one
TL;DR: 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one (CAS 30071-93-3) is a chemical compound with molecular formula C10H6F6O and molecular weight 256.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-bis(trifluoromethyl)phenyl]ethanone
Also Known As: 3',5'-Bis(trifluoromethyl)acetophenone, 3,5-Bis(trifluoromethyl)acetophenone, 1-(3,5-bis(trifluoromethyl)phenyl)ethanone, 1-[3,5-Bis(trifluoromethyl)phenyl]ethanone, MBT-AC
| Molecular Formula | C10H6F6O |
|---|---|
| Molecular Weight | 256.03 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0323 |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 30071-93-3 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| InChIKey | MCYCSIKSZLARBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one (CAS 30071-93-3), with molecular formula C10H6F6O and molecular weight 256.03 g/mol. IUPAC: 1-[3,5-bis(trifluoromethyl)phenyl]ethanone.
Chemical Property Profile of 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one
Property Insights of 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one
The XLogP value of 3.9 indicates that 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one 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 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one?
The CAS number of 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one is 30071-93-3.
What is the molecular formula of 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one?
The molecular formula of 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one is C10H6F6O.
What is the molecular weight of 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one?
The molecular weight of 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one is 256.03 g/mol.
Where can I buy 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one?
You can request a quote for 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.