1,1,1,2,2,3,3-heptafluoro-7-iodoheptane

• ChemBase ID: 15267
• Molecular Formular: C7H8F7I
• Molecular Mass: 352.0317124
• Monoisotopic Mass: 351.9558958
• SMILES: C(C(C(CCCCI)(F)F)(F)F)(F)(F)F
• Canonical SMILES: ICCCCC(C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7H8F7I/c8-5(9,3-1-2-4-15)6(10,11)7(12,13)14/h1-4H2
• InChIKey: MGAFZAISKPGHKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3-heptafluoro-7-iodoheptane
• IUPAC Traditional name: 1,1,1,2,2,3,3-heptafluoro-7-iodoheptane
• Synonyms: 1,1,1,2,2,3,3-Heptafluoro-7-iodoheptane

Database IDs

• MDL Number: MFCD06247733
• PubChem SID: 160978574
• PubChem CID: 45074914

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.601359
• LogD (pH = 7.4): 4.601359
• Log P: 4.601359
• Molar Refractivity: 48.552 cm^3
• Polarizability: 18.542776 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%