5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile
TL;DR: 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile (CAS 5634-47-9) is a chemical compound with molecular formula C7H4F9N and molecular weight 273.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentanenitrile
Also Known As: 4,4,4-Tris(trifluoromethyl)butanenitrile, 5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentanenitrile, 4,4-Bis(trifluoromethyl)-5,5,5-trifluoropentanonitrile, 4,4-Bis(trifluoromethyl)-5,5,5-trifluorovaleronitrile, 5,5,5-Trifluor-4,4-bis-trifluormethyl-valeronitril
| Molecular Formula | C7H4F9N |
|---|---|
| Molecular Weight | 273.02 g/mol |
| LogP | 3.96348 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.02 |
| Heavy Atoms | 17 |
| Complexity | 265.22784 |
Chemical Identifiers
| CAS Number | 5634-47-9 |
|---|---|
| SMILES | C(CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C#N |
Product Overview
5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile (CAS 5634-47-9), with molecular formula C7H4F9N and molecular weight 273.02 g/mol. IUPAC: 5,5,5-trifluoro-4,4-bis(trifluoromethyl)pentanenitrile.
Chemical Property Profile of 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile
Property Insights of 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile
The XLogP value of 3.96348 indicates that 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile has 0 hydrogen bond donor(s) and 1 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 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile?
The CAS number of 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile is 5634-47-9.
What is the molecular formula of 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile?
The molecular formula of 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile is C7H4F9N.
What is the molecular weight of 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile?
The molecular weight of 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile is 273.02 g/mol.
Where can I buy 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile?
You can request a quote for 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5,5,5-Trifluoro-4,4-bis(trifluoromethyl)pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.