2-[3,3,4,4,5,5,5-Heptafluoro-2,2-bis(trifluoromethyl)pentyl]benzonitrile

Base Information

• Chemical Name: 2-[3,3,4,4,5,5,5-Heptafluoro-2,2-bis(trifluoromethyl)pentyl]benzonitrile
• CAS No.: 111364-00-2
• Molecular Formula: C14H6F13N
• DSSTox Substance ID: DTXSID80549523
• Wikidata: Q82428599
• Mol file: 111364-00-2.mol

Synonyms:111364-00-2;2-[3,3,4,4,5,5,5-Heptafluoro-2,2-bis(trifluoromethyl)pentyl]benzonitrile;DTXSID80549523

Chemical Property of 2-[3,3,4,4,5,5,5-Heptafluoro-2,2-bis(trifluoromethyl)pentyl]benzonitrile

Chemical Property:

• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 4
• Exact Mass: 435.0292653
• Heavy Atom Count: 28
• Complexity: 589

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)C#N