nonafluoropentanenitrile

• ChemBase ID: 93570
• Molecular Formular: C5F9N
• Molecular Mass: 245.0458288
• Monoisotopic Mass: 244.98870299
• SMILES: FC(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: N#CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5F9N/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14
• InChIKey: FVBKAFXHWXBINM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonafluoropentanenitrile
• IUPAC Traditional name: nonafluoropentanenitrile
• Synonyms: Nonafluoropentanitrile

Database IDs

• CAS Number: 22325-71-9
• MDL Number: MFCD04039182
• PubChem SID: 162080255
• PubChem CID: 2782578

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0688598
• LogD (pH = 7.4): 3.0688598
• Log P: 3.0688598
• Molar Refractivity: 26.6372 cm^3
• Polarizability: 10.062502 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -15°C

Safety Information

• Storage Warning: Irritant