1-(4-Fluorophenyl)-2,2-dimethylpropan-1-one
TL;DR: 1-(4-Fluorophenyl)-2,2-dimethylpropan-1-one (CAS 64436-59-5) is a chemical compound with molecular formula C11H13FO and molecular weight 180.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2,2-dimethylpropan-1-one
Also Known As: 2,2-Dimethyl-4'-fluoropropiophenone, 1-(4-fluorophenyl)-2,2-dimethylpropan-1-one, 1-Propanone, 1-(4-fluorophenyl)-2,2-dimethyl-, 4 -Fluoropivalophenone, 1-Pivaloyl-4-fluorobenzene
| Molecular Formula | C11H13FO |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.09505 |
| Heavy Atoms | 13 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 64436-59-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)C1=CC=C(C=C1)F |
| InChIKey | NDBBINMFHIVBMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Fluorophenyl)-2,2-dimethylpropan-1-one (CAS 64436-59-5), with molecular formula C11H13FO and molecular weight 180.10 g/mol. IUPAC: 1-(4-fluorophenyl)-2,2-dimethylpropan-1-one.
Chemical Property Profile of 1-(4-Fluorophenyl)-2,2-dimethylpropan-1-one
Property Insights of 1-(4-Fluorophenyl)-2,2-dimethylpropan-1-one
The XLogP value of 3.1 indicates that 1-(4-Fluorophenyl)-2,2-dimethylpropan-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-(4-Fluorophenyl)-2,2-dimethylpropan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-2,2-dimethylpropan-1-one has 0 hydrogen bond donor(s) and 2 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-Fluorophenyl)-2,2-dimethylpropan-1-one?
The CAS number of 1-(4-Fluorophenyl)-2,2-dimethylpropan-1-one is 64436-59-5.
What is the molecular formula of 1-(4-Fluorophenyl)-2,2-dimethylpropan-1-one?
The molecular formula of 1-(4-Fluorophenyl)-2,2-dimethylpropan-1-one is C11H13FO.
What is the molecular weight of 1-(4-Fluorophenyl)-2,2-dimethylpropan-1-one?
The molecular weight of 1-(4-Fluorophenyl)-2,2-dimethylpropan-1-one is 180.10 g/mol.
Where can I buy 1-(4-Fluorophenyl)-2,2-dimethylpropan-1-one?
You can request a quote for 1-(4-Fluorophenyl)-2,2-dimethylpropan-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-(4-Fluorophenyl)-2,2-dimethylpropan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-2,2-dimethylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.