1,1,1-Trifluorooctane
TL;DR: 1,1,1-Trifluorooctane (CAS 53392-86-2) is a chemical compound with molecular formula C8H15F3 and molecular weight 168.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluorooctane
Also Known As: 1,1,1-Trifluorooctane, RefChem:213035
| Molecular Formula | C8H15F3 |
|---|---|
| Molecular Weight | 168.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.11258 |
| Heavy Atoms | 11 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 53392-86-2 |
|---|---|
| SMILES | CCCCCCCC(F)(F)F |
| InChIKey | FHMDVJKRMUAZOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trifluorooctane (CAS 53392-86-2), with molecular formula C8H15F3 and molecular weight 168.11 g/mol. IUPAC: 1,1,1-trifluorooctane.
Chemical Property Profile of 1,1,1-Trifluorooctane
Property Insights of 1,1,1-Trifluorooctane
The XLogP value of 4.8 indicates that 1,1,1-Trifluorooctane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1-Trifluorooctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trifluorooctane has 0 hydrogen bond donor(s) and 3 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 1,1,1-Trifluorooctane?
The CAS number of 1,1,1-Trifluorooctane is 53392-86-2.
What is the molecular formula of 1,1,1-Trifluorooctane?
The molecular formula of 1,1,1-Trifluorooctane is C8H15F3.
What is the molecular weight of 1,1,1-Trifluorooctane?
The molecular weight of 1,1,1-Trifluorooctane is 168.11 g/mol.
Where can I buy 1,1,1-Trifluorooctane?
You can request a quote for 1,1,1-Trifluorooctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluorooctane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluorooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.