1,1,1,2,2,3,3-heptafluoro-5-iodononane

• ChemBase ID: 6489
• Molecular Formular: C9H12F7I
• Molecular Mass: 380.0848724
• Monoisotopic Mass: 379.98719592
• SMILES: C(F)(CC(I)CCCC)(C(C(F)(F)F)(F)F)F
• Canonical SMILES: CCCCC(CC(C(C(F)(F)F)(F)F)(F)F)I
• InChI: InChI=1S/C9H12F7I/c1-2-3-4-6(17)5-7(10,11)8(12,13)9(14,15)16/h6H,2-5H2,1H3
• InChIKey: OREPMMRTKSCBPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3-heptafluoro-5-iodononane
• IUPAC Traditional name: 1,1,1,2,2,3,3-heptafluoro-5-iodononane
• Synonyms: 1,1,1,2,2,3,3-Heptafluoro-5-iodononane

Database IDs

• CAS Number: 755-48-6
• MDL Number: MFCD00155833
• PubChem SID: 160969796
• PubChem CID: 4586586

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.8029294
• LogD (pH = 7.4): 5.8029294
• Log P: 5.8029294
• Molar Refractivity: 56.9764 cm^3
• Polarizability: 21.92704 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 85°C/23mm

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%