4,4,4-Trifluorobutylbenzene
TL;DR: 4,4,4-Trifluorobutylbenzene (CAS 104315-86-8) is a chemical compound with molecular formula C10H11F3 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluorobutylbenzene
Also Known As: 4,4,4-trifluorobutylbenzene, (4,4,4-trifluorobutyl)benzene, Benzene,(4,4,4-trifluorobutyl)-, (4,4,4-Trifluorobut-1-yl)benzene, 1,1,1-Trifluoro-4-phenylbutane
| Molecular Formula | C10H11F3 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 3.5716 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 188.08128 |
| Heavy Atoms | 13 |
| Complexity | 238.09682 |
Chemical Identifiers
| CAS Number | 104315-86-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC(F)(F)F |
Product Overview
4,4,4-Trifluorobutylbenzene (CAS 104315-86-8), with molecular formula C10H11F3 and molecular weight 188.08 g/mol. IUPAC: 4,4,4-trifluorobutylbenzene.
Chemical Property Profile of 4,4,4-Trifluorobutylbenzene
Property Insights of 4,4,4-Trifluorobutylbenzene
The XLogP value of 3.5716 indicates that 4,4,4-Trifluorobutylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4,4,4-Trifluorobutylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluorobutylbenzene 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 4,4,4-Trifluorobutylbenzene?
The CAS number of 4,4,4-Trifluorobutylbenzene is 104315-86-8.
What is the molecular formula of 4,4,4-Trifluorobutylbenzene?
The molecular formula of 4,4,4-Trifluorobutylbenzene is C10H11F3.
What is the molecular weight of 4,4,4-Trifluorobutylbenzene?
The molecular weight of 4,4,4-Trifluorobutylbenzene is 188.08 g/mol.
Where can I buy 4,4,4-Trifluorobutylbenzene?
You can request a quote for 4,4,4-Trifluorobutylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-Trifluorobutylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluorobutylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.