1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodononane

• ChemBase ID: 94113
• Molecular Formular: C9H4F15I
• Molecular Mass: 524.008578
• Monoisotopic Mass: 523.91182143
• SMILES: FC(C(C(C(F)(F)C(C(F)(F)C(F)(CCI)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9H4F15I/c10-3(11,1-2-25)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1-2H2
• InChIKey: QVTHRDRXTVTNEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodononane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodononane
• Synonyms: 1-Iodo-2-(perfluoroheptyl)ethane; 1-Iodo-1H,1H,2H,2H-perfluorononane

Database IDs

• CAS Number: 2043-52-9
• MDL Number: MFCD07772054
• PubChem SID: 162080768
• PubChem CID: 74884

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8810434
• LogD (pH = 7.4): 6.8810434
• Log P: 6.8810434
• Molar Refractivity: 57.4544 cm^3
• Polarizability: 22.824993 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant