1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene)
TL;DR: 1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene) (CAS 8013-72-7) is a chemical compound with molecular formula C14H9F5 and molecular weight 272.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzene
Also Known As: KST-1B8661, 2,2-Bis(4-fluorophenyl)-1,1,1-trifluoroethane, 1,1'-(2,2,2-trifluoroethane-1,1-diyl)bis(4-fluorobenzene), 1-fluoro-4-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzene
| Molecular Formula | C14H9F5 |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.06244 |
| Heavy Atoms | 19 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 8013-72-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C2=CC=C(C=C2)F)C(F)(F)F)F |
| InChIKey | IBMMHTCQSPFOLR-UHFFFAOYSA-N |
Product Overview
1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene) (CAS 8013-72-7), with molecular formula C14H9F5 and molecular weight 272.06 g/mol. IUPAC: 1-fluoro-4-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]benzene.
Chemical Property Profile of 1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene)
Property Insights of 1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene)
The XLogP value of 5.0 indicates that 1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene) 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'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene) has 0 hydrogen bond donor(s) and 5 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'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene)?
The CAS number of 1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene) is 8013-72-7.
What is the molecular formula of 1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene)?
The molecular formula of 1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene) is C14H9F5.
What is the molecular weight of 1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene)?
The molecular weight of 1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene) is 272.06 g/mol.
Where can I buy 1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene)?
You can request a quote for 1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(2,2,2-Trifluoroethane-1,1-diyl)bis(4-fluorobenzene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.