nonadecafluorodecanenitrile

• ChemBase ID: 7874
• Molecular Formular: C10F19N
• Molecular Mass: 495.0833608
• Monoisotopic Mass: 494.97273519
• SMILES: C(C#N)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: N#CC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10F19N/c11-2(12,1-30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29
• InChIKey: QXBUHLMUCFBZOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonadecafluorodecanenitrile
• IUPAC Traditional name: nonadecafluorodecanenitrile
• Synonyms: Perfluorodecanonitrile 97%; Perfluorodecanonitrile

Database IDs

• CAS Number: 379215-40-4
• MDL Number: MFCD00045610
• PubChem SID: 160971181
• PubChem CID: 2776067

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.5720735
• LogD (pH = 7.4): 6.5720735
• Log P: 6.5720735
• Molar Refractivity: 49.9772 cm^3
• Polarizability: 19.648304 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 144-147°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%