![Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]- structure](/static/products/3142/3142-78-7.webp)
Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-
TL;DR: Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]- (CAS 3142-78-7) is a chemical compound with molecular formula C9H6F6 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3,3-hexafluoropropan-2-ylbenzene
Also Known As: phenyl hexafluoro propane, [2,2,2-Trifluoro-1- ethyl]benzene, Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-, 1,1,1,3,3,3-hexafluoropropan-2-ylbenzene, (1,1,1,3,3,3-hexafluoropropan-2-yl)benzene
| Molecular Formula | C9H6F6 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.03737 |
| Heavy Atoms | 15 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 3142-78-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(F)(F)F)C(F)(F)F |
| InChIKey | SWLMAOZSUXXKNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]- (CAS 3142-78-7), with molecular formula C9H6F6 and molecular weight 228.04 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoropropan-2-ylbenzene.
Chemical Property Profile of Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-
Property Insights of Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-
The XLogP value of 4.2 indicates that Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]- has 0 hydrogen bond donor(s) and 6 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 Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-?
The CAS number of Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]- is 3142-78-7.
What is the molecular formula of Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-?
The molecular formula of Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]- is C9H6F6.
What is the molecular weight of Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-?
The molecular weight of Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]- is 228.04 g/mol.
Where can I buy Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-?
You can request a quote for Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [2,2,2-trifluoro-1-(trifluoromethyl)ethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.