1,1-Dichloro-2,2,2-trifluoro-1-phenylethane
TL;DR: 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane (CAS 309-10-4) is a chemical compound with molecular formula C8H5Cl2F3 and molecular weight 227.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dichloro-2,2,2-trifluoroethyl)benzene
Also Known As: (1,1-dichloro-2,2,2-trifluoroethyl)benzene, 1,1-dichloro-2,2,2-trifluoro-1-phenylethane, Benzene, (1,1-dichloro-2,2,2-trifluoroethyl)-, 1,1-Dichlor-2,2,2-trifluor-1-phenyl-ethan, (1,1-dichloro-2,2,2-trifluoroethyl)-benzene
| Molecular Formula | C8H5Cl2F3 |
|---|---|
| Molecular Weight | 227.97 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.97205 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 309-10-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(F)(F)F)(Cl)Cl |
| InChIKey | VCGJIIDFWDVVQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dichloro-2,2,2-trifluoro-1-phenylethane (CAS 309-10-4), with molecular formula C8H5Cl2F3 and molecular weight 227.97 g/mol. IUPAC: (1,1-dichloro-2,2,2-trifluoroethyl)benzene.
Chemical Property Profile of 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane
Property Insights of 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane
The XLogP value of 3.9 indicates that 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane 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 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane?
The CAS number of 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane is 309-10-4.
What is the molecular formula of 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane?
The molecular formula of 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane is C8H5Cl2F3.
What is the molecular weight of 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane?
The molecular weight of 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane is 227.97 g/mol.
Where can I buy 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane?
You can request a quote for 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dichloro-2,2,2-trifluoro-1-phenylethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.