2,2-Difluoro-1-(4-methylphenyl)ethanone
TL;DR: 2,2-Difluoro-1-(4-methylphenyl)ethanone (CAS 71065-12-8) is a chemical compound with molecular formula C9H8F2O and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-difluoro-1-(4-methylphenyl)ethanone
Also Known As: 2,2-Difluoro-1-(p-tolyl)ethanone, 2,2-difluoro-1-(4-methylphenyl)ethanone, 2,2-Difluoro-1-p-tolyl-ethanone, Ethanone,2,2-difluoro-1-(4-methylphenyl)-, Ethanone,2,2-difluoro-1- -
| Molecular Formula | C9H8F2O |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.05432 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 71065-12-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(F)F |
| InChIKey | RKOAJRSRPAQUFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Difluoro-1-(4-methylphenyl)ethanone (CAS 71065-12-8), with molecular formula C9H8F2O and molecular weight 170.05 g/mol. IUPAC: 2,2-difluoro-1-(4-methylphenyl)ethanone.
Chemical Property Profile of 2,2-Difluoro-1-(4-methylphenyl)ethanone
Property Insights of 2,2-Difluoro-1-(4-methylphenyl)ethanone
The XLogP value of 3.0 indicates that 2,2-Difluoro-1-(4-methylphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2-Difluoro-1-(4-methylphenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Difluoro-1-(4-methylphenyl)ethanone has 0 hydrogen bond donor(s) and 3 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 2,2-Difluoro-1-(4-methylphenyl)ethanone?
The CAS number of 2,2-Difluoro-1-(4-methylphenyl)ethanone is 71065-12-8.
What is the molecular formula of 2,2-Difluoro-1-(4-methylphenyl)ethanone?
The molecular formula of 2,2-Difluoro-1-(4-methylphenyl)ethanone is C9H8F2O.
What is the molecular weight of 2,2-Difluoro-1-(4-methylphenyl)ethanone?
The molecular weight of 2,2-Difluoro-1-(4-methylphenyl)ethanone is 170.05 g/mol.
Where can I buy 2,2-Difluoro-1-(4-methylphenyl)ethanone?
You can request a quote for 2,2-Difluoro-1-(4-methylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Difluoro-1-(4-methylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Difluoro-1-(4-methylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.