1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane

• ChemBase ID: 11997
• Molecular Formular: C9H6F13I
• Molecular Mass: 488.0276516
• Monoisotopic Mass: 487.93066505
• SMILES: C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(I)C
• Canonical SMILES: CC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
• InChI: InChI=1S/C9H6F13I/c1-3(23)2-4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3H,2H2,1H3
• InChIKey: REPFTMOJFHVIBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodononane
• Synonyms: 2-Iodo-1H,1H,1H,2H,3H,3H-perfluorononane

Database IDs

• CAS Number: 38550-34-4
• MDL Number: MFCD00156018
• PubChem SID: 160975304
• PubChem CID: 2778812

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.493198
• LogD (pH = 7.4): 6.493198
• Log P: 6.493198
• Molar Refractivity: 57.2544 cm^3
• Polarizability: 22.535986 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%