1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorononane

• ChemBase ID: 100851
• Molecular Formular: C9HF19
• Molecular Mass: 470.0739008
• Monoisotopic Mass: 469.97748621
• SMILES: FC(F)(F)C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(C(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(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
• InChI: InChI=1S/C9HF19/c10-1(11)2(12,13)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)28/h1H
• InChIKey: CUNIPPSHVAZKID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorononane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorononane
• Synonyms: 1H-Perfluorononane 98%

Database IDs

• CAS Number: 375-94-0
• MDL Number: MFCD08458171
• PubChem SID: 162086687
• PubChem CID: 527536

CALCULATED PROPERTIES

• Acid pKa: 19.78678
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.497456
• LogD (pH = 7.4): 6.497456
• Log P: 6.497456
• Molar Refractivity: 44.6555 cm^3
• Polarizability: 18.010044 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 138°C

Safety Information

• Storage Warning: Irritant