1,1,1-Trifluoro-4-phenyl-2-butanone
TL;DR: 1,1,1-Trifluoro-4-phenyl-2-butanone (CAS 92924-85-1) 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.
1,1,1-trifluoro-4-phenylbutan-2-one
Also Known As: 1,1,1-Trifluoro-4-phenylbutan-2-one, 1,1,1-Tfpb, trifluoromethyl phenethyl ketone, Phenethyl(trifluoromethyl) ketone, Trifluoromethyl(phenethyl) ketone
| Molecular Formula | C10H9F3O |
|---|---|
| Molecular Weight | 202.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.06055 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 92924-85-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)C(F)(F)F |
| InChIKey | TVQSAEOXFNDKAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trifluoro-4-phenyl-2-butanone (CAS 92924-85-1), with molecular formula C10H9F3O and molecular weight 202.06 g/mol. IUPAC: 1,1,1-trifluoro-4-phenylbutan-2-one.
Chemical Property Profile of 1,1,1-Trifluoro-4-phenyl-2-butanone
Property Insights of 1,1,1-Trifluoro-4-phenyl-2-butanone
The XLogP value of 3.0 indicates that 1,1,1-Trifluoro-4-phenyl-2-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1,1,1-Trifluoro-4-phenyl-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-4-phenyl-2-butanone 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 1,1,1-Trifluoro-4-phenyl-2-butanone?
The CAS number of 1,1,1-Trifluoro-4-phenyl-2-butanone is 92924-85-1.
What is the molecular formula of 1,1,1-Trifluoro-4-phenyl-2-butanone?
The molecular formula of 1,1,1-Trifluoro-4-phenyl-2-butanone is C10H9F3O.
What is the molecular weight of 1,1,1-Trifluoro-4-phenyl-2-butanone?
The molecular weight of 1,1,1-Trifluoro-4-phenyl-2-butanone is 202.06 g/mol.
Where can I buy 1,1,1-Trifluoro-4-phenyl-2-butanone?
You can request a quote for 1,1,1-Trifluoro-4-phenyl-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-4-phenyl-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-4-phenyl-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.