1,1,1,2,2-pentafluoro-6-iodohexane

• ChemBase ID: 15272
• Molecular Formular: C6H8F5I
• Molecular Mass: 302.024206
• Monoisotopic Mass: 301.95908936
• SMILES: FC(C(CCCCI)(F)F)(F)F
• Canonical SMILES: ICCCCC(C(F)(F)F)(F)F
• InChI: InChI=1S/C6H8F5I/c7-5(8,6(9,10)11)3-1-2-4-12/h1-4H2
• InChIKey: LGOVMEORCBKCPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2-pentafluoro-6-iodohexane
• IUPAC Traditional name: 1,1,1,2,2-pentafluoro-6-iodohexane
• Synonyms: 6-Iodo-1,1,1,2,2-pentafluorohexane

Database IDs

• MDL Number: MFCD06247809
• PubChem SID: 160978579
• PubChem CID: 12017061

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9007163
• LogD (pH = 7.4): 3.9007163
• Log P: 3.9007163
• Molar Refractivity: 43.884 cm^3
• Polarizability: 16.699003 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%