Benzene, 1-(1-propynyl)-4-(trifluoromethyl)-
TL;DR: Benzene, 1-(1-propynyl)-4-(trifluoromethyl)- (CAS 79756-87-9) is a chemical compound with molecular formula C10H7F3 and molecular weight 184.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-1-ynyl-4-(trifluoromethyl)benzene
Also Known As: ghl.PD_Mitscher_leg0.320, Benzene, 1-(1-propynyl)-4-(trifluoromethyl)-, 1-prop-1-ynyl-4-(trifluoromethyl)benzene, 1-[4-(Trifluoromethyl)phenyl]-1-propyne, 1-(1-Propyn-1-yl)-4-(trifluoromethyl)benzene
| Molecular Formula | C10H7F3 |
|---|---|
| Molecular Weight | 184.05 g/mol |
| LogP | 3.0768 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.04999 |
| Heavy Atoms | 13 |
| Complexity | 335.1631 |
Chemical Identifiers
| CAS Number | 79756-87-9 |
|---|---|
| SMILES | CC#CC1=CC=C(C=C1)C(F)(F)F |
Product Overview
Benzene, 1-(1-propynyl)-4-(trifluoromethyl)- (CAS 79756-87-9), with molecular formula C10H7F3 and molecular weight 184.05 g/mol. IUPAC: 1-prop-1-ynyl-4-(trifluoromethyl)benzene.
Chemical Property Profile of Benzene, 1-(1-propynyl)-4-(trifluoromethyl)-
Property Insights of Benzene, 1-(1-propynyl)-4-(trifluoromethyl)-
The XLogP value of 3.0768 indicates that Benzene, 1-(1-propynyl)-4-(trifluoromethyl)- 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, 1-(1-propynyl)-4-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(1-propynyl)-4-(trifluoromethyl)- 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 Benzene, 1-(1-propynyl)-4-(trifluoromethyl)-?
The CAS number of Benzene, 1-(1-propynyl)-4-(trifluoromethyl)- is 79756-87-9.
What is the molecular formula of Benzene, 1-(1-propynyl)-4-(trifluoromethyl)-?
The molecular formula of Benzene, 1-(1-propynyl)-4-(trifluoromethyl)- is C10H7F3.
What is the molecular weight of Benzene, 1-(1-propynyl)-4-(trifluoromethyl)-?
The molecular weight of Benzene, 1-(1-propynyl)-4-(trifluoromethyl)- is 184.05 g/mol.
Where can I buy Benzene, 1-(1-propynyl)-4-(trifluoromethyl)-?
You can request a quote for Benzene, 1-(1-propynyl)-4-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(1-propynyl)-4-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(1-propynyl)-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.