(2,2-Difluoroethyl)benzene
TL;DR: (2,2-Difluoroethyl)benzene (CAS 50561-98-3) is a chemical compound with molecular formula C8H8F2 and molecular weight 142.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-difluoroethylbenzene
Also Known As: (2,2-difluoroethyl)benzene, 2,2-difluoroethylbenzene, 1,1-Difluoro-2-phenylethane, (2,2-Difluoro-ethyl)-benzene, 1,1-Difluoro-2-phenyl-ethane
| Molecular Formula | C8H8F2 |
|---|---|
| Molecular Weight | 142.06 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.0594 |
| Heavy Atoms | 10 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 50561-98-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(F)F |
| InChIKey | SVQHPJKYUJYLJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,2-Difluoroethyl)benzene (CAS 50561-98-3), with molecular formula C8H8F2 and molecular weight 142.06 g/mol. IUPAC: 2,2-difluoroethylbenzene.
Chemical Property Profile of (2,2-Difluoroethyl)benzene
Property Insights of (2,2-Difluoroethyl)benzene
The XLogP value of 3.1 indicates that (2,2-Difluoroethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, (2,2-Difluoroethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,2-Difluoroethyl)benzene 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 (2,2-Difluoroethyl)benzene?
The CAS number of (2,2-Difluoroethyl)benzene is 50561-98-3.
What is the molecular formula of (2,2-Difluoroethyl)benzene?
The molecular formula of (2,2-Difluoroethyl)benzene is C8H8F2.
What is the molecular weight of (2,2-Difluoroethyl)benzene?
The molecular weight of (2,2-Difluoroethyl)benzene is 142.06 g/mol.
Where can I buy (2,2-Difluoroethyl)benzene?
You can request a quote for (2,2-Difluoroethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2-Difluoroethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (2,2-Difluoroethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.