1-(4-Butylphenyl)-2,2,2-trifluoroethanone
TL;DR: 1-(4-Butylphenyl)-2,2,2-trifluoroethanone (CAS 40739-44-4) is a chemical compound with molecular formula C12H13F3O and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butylphenyl)-2,2,2-trifluoroethanone
Also Known As: 1-(4-Butylphenyl)-2,2,2-trifluoroethanone, 4'-n-Butyl-2,2,2-trifluoroacetophenone, Trifluoracetyl-p-butylbenzol, Carbonate ionophore IV solution, 4-Butyl-,,-trifluoroacetophenone
| Molecular Formula | C12H13F3O |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.09184 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 40739-44-4 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)C(=O)C(F)(F)F |
| InChIKey | XIVOMWSWGCFRNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Butylphenyl)-2,2,2-trifluoroethanone (CAS 40739-44-4), with molecular formula C12H13F3O and molecular weight 230.09 g/mol. IUPAC: 1-(4-butylphenyl)-2,2,2-trifluoroethanone.
Chemical Property Profile of 1-(4-Butylphenyl)-2,2,2-trifluoroethanone
Property Insights of 1-(4-Butylphenyl)-2,2,2-trifluoroethanone
The XLogP value of 4.6 indicates that 1-(4-Butylphenyl)-2,2,2-trifluoroethanone 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-(4-Butylphenyl)-2,2,2-trifluoroethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Butylphenyl)-2,2,2-trifluoroethanone 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-(4-Butylphenyl)-2,2,2-trifluoroethanone?
The CAS number of 1-(4-Butylphenyl)-2,2,2-trifluoroethanone is 40739-44-4.
What is the molecular formula of 1-(4-Butylphenyl)-2,2,2-trifluoroethanone?
The molecular formula of 1-(4-Butylphenyl)-2,2,2-trifluoroethanone is C12H13F3O.
What is the molecular weight of 1-(4-Butylphenyl)-2,2,2-trifluoroethanone?
The molecular weight of 1-(4-Butylphenyl)-2,2,2-trifluoroethanone is 230.09 g/mol.
Where can I buy 1-(4-Butylphenyl)-2,2,2-trifluoroethanone?
You can request a quote for 1-(4-Butylphenyl)-2,2,2-trifluoroethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Butylphenyl)-2,2,2-trifluoroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Butylphenyl)-2,2,2-trifluoroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.