1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane

• ChemBase ID: 11993
• Molecular Formular: C5H2F9I
• Molecular Mass: 359.9594788
• Monoisotopic Mass: 359.90575204
• SMILES: C(I)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5H2F9I/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1H2
• InChIKey: HFCSJMGXADMMTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane
• Synonyms: 1-Iodo-1H,1H-nonafluoropentane; 1H,1H-Perfluoropentyl iodide; 1-Iodo-1H,1H-nonafluoropentane; 1-Iodo-1H,1H-perfluoropentane

Database IDs

• CAS Number: 2253-14-7
• MDL Number: MFCD00233025
• PubChem SID: 160975300
• PubChem CID: 3696548

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.124203
• LogD (pH = 7.4): 4.124203
• Log P: 4.124203
• Molar Refractivity: 39.263 cm^3
• Polarizability: 15.509206 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%