alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene
TL;DR: alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene (CAS 94022-98-7) is a chemical compound with molecular formula C9H8F3I and molecular weight 299.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-iodoethyl)-2-(trifluoromethyl)benzene
Also Known As: EINECS 301-593-1, 1-(2-iodoethyl)-2-(trifluoromethyl)benzene, alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene, 1-(2-Iodoethyl)-2-trifluoromethylbenzene, .ALPHA.,ALPHA,ALPHA-TRIFLUORO-2-(2-IODOETHYL)TOLUENE
| Molecular Formula | C9H8F3I |
|---|---|
| Molecular Weight | 299.96 g/mol |
| LogP | 3.6829 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.96228 |
| Heavy Atoms | 13 |
| Complexity | 280.43347 |
Chemical Identifiers
| CAS Number | 94022-98-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CCI)C(F)(F)F |
Product Overview
alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene (CAS 94022-98-7), with molecular formula C9H8F3I and molecular weight 299.96 g/mol. IUPAC: 1-(2-iodoethyl)-2-(trifluoromethyl)benzene.
Chemical Property Profile of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene
Property Insights of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene
The XLogP value of 3.6829 indicates that alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene has 0 hydrogen bond donor(s) and 0 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 alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene?
The CAS number of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene is 94022-98-7.
What is the molecular formula of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene?
The molecular formula of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene is C9H8F3I.
What is the molecular weight of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene?
The molecular weight of alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene is 299.96 g/mol.
Where can I buy alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene?
You can request a quote for alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene?
Yes, KEHONG BIO provides custom synthesis services for alpha,alpha,alpha-Trifluoro-2-(2-iodoethyl)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.