1-(1-Methylethenyl)-3-(trifluoromethyl)benzene
TL;DR: 1-(1-Methylethenyl)-3-(trifluoromethyl)benzene (CAS 368-79-6) is a chemical compound with molecular formula C10H9F3 and molecular weight 186.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-1-en-2-yl-3-(trifluoromethyl)benzene
Also Known As: 3-Isopropenylbenzotrifluoride, 3-CF3C6H4C(CH3)=CH2, alpha-Methyl-3-(trifluoromethyl)styrene, 1-(prop-1-en-2-yl)-3-(trifluoromethyl)benzene, 1-(Trifluoromethyl)-3-isopropenylbenzene
| Molecular Formula | C10H9F3 |
|---|---|
| Molecular Weight | 186.07 g/mol |
| LogP | 3.7385 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.06563 |
| Heavy Atoms | 13 |
| Complexity | 323.1869 |
Chemical Identifiers
| CAS Number | 368-79-6 |
|---|---|
| SMILES | CC(=C)C1=CC(=CC=C1)C(F)(F)F |
Product Overview
1-(1-Methylethenyl)-3-(trifluoromethyl)benzene (CAS 368-79-6), with molecular formula C10H9F3 and molecular weight 186.07 g/mol. IUPAC: 1-prop-1-en-2-yl-3-(trifluoromethyl)benzene.
Chemical Property Profile of 1-(1-Methylethenyl)-3-(trifluoromethyl)benzene
Property Insights of 1-(1-Methylethenyl)-3-(trifluoromethyl)benzene
The XLogP value of 3.7385 indicates that 1-(1-Methylethenyl)-3-(trifluoromethyl)benzene 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-Methylethenyl)-3-(trifluoromethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Methylethenyl)-3-(trifluoromethyl)benzene 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 1-(1-Methylethenyl)-3-(trifluoromethyl)benzene?
The CAS number of 1-(1-Methylethenyl)-3-(trifluoromethyl)benzene is 368-79-6.
What is the molecular formula of 1-(1-Methylethenyl)-3-(trifluoromethyl)benzene?
The molecular formula of 1-(1-Methylethenyl)-3-(trifluoromethyl)benzene is C10H9F3.
What is the molecular weight of 1-(1-Methylethenyl)-3-(trifluoromethyl)benzene?
The molecular weight of 1-(1-Methylethenyl)-3-(trifluoromethyl)benzene is 186.07 g/mol.
Where can I buy 1-(1-Methylethenyl)-3-(trifluoromethyl)benzene?
You can request a quote for 1-(1-Methylethenyl)-3-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Methylethenyl)-3-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Methylethenyl)-3-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.