undecafluorohexanenitrile

• ChemBase ID: 99746
• Molecular Formular: C6F11N
• Molecular Mass: 295.0533352
• Monoisotopic Mass: 294.98550943
• SMILES: N#CC(C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: N#CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6F11N/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17
• InChIKey: SIRKRRJSXWDMMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecafluorohexanenitrile
• IUPAC Traditional name: undecafluorohexanenitrile
• Synonyms: 2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanenitrile; Perfluorohexanenitrile 97+%

Database IDs

• CAS Number: 23790-49-0
• PubChem SID: 162085996
• PubChem CID: 13568447

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7695026
• LogD (pH = 7.4): 3.7695026
• Log P: 3.7695026
• Molar Refractivity: 31.3052 cm^3
• Polarizability: 11.978965 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Toxic