![Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- structure](/static/products/4112/41125-49-9.webp)
Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-
TL;DR: Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- (CAS 41125-49-9) is a chemical compound with molecular formula C10H5F9 and molecular weight 296.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]benzene
Also Known As: (Nonafluor-t-butyl)-benzol, (Nonafluoro-tert-butyl) benzene, Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-, [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]benzene, [2,2,2-Trifluoro-1,1-bis(trifluoromethyl)ethyl]benzene
| Molecular Formula | C10H5F9 |
|---|---|
| Molecular Weight | 296.02 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.02475 |
| Heavy Atoms | 19 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 41125-49-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F |
| InChIKey | DPUZZPUOIFEBHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- (CAS 41125-49-9), with molecular formula C10H5F9 and molecular weight 296.02 g/mol. IUPAC: [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]benzene.
Chemical Property Profile of Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-
Property Insights of Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-
The XLogP value of 5.3 indicates that Benzene, [2,2,2-trifluoro-1,1-bis(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-1,1-bis(trifluoromethyl)ethyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-?
The CAS number of Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- is 41125-49-9.
What is the molecular formula of Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-?
The molecular formula of Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- is C10H5F9.
What is the molecular weight of Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-?
The molecular weight of Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- is 296.02 g/mol.
Where can I buy Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]-?
You can request a quote for Benzene, [2,2,2-trifluoro-1,1-bis(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-1,1-bis(trifluoromethyl)ethyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.