1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-10-iodo-2-(trifluoromethyl)decane

• ChemBase ID: 9017
• Molecular Formular: C11H4F19I
• Molecular Mass: 624.0235908
• Monoisotopic Mass: 623.90543431
• SMILES: C(C(C(C(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
• Canonical SMILES: ICCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H4F19I/c12-3(13,1-2-31)5(15,16)7(19,20)9(23,24)8(21,22)6(17,18)4(14,10(25,26)27)11(28,29)30/h1-2H2
• InChIKey: PMGMHQUGBLUBQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-10-iodo-2-(trifluoromethyl)decane
• IUPAC Traditional name: 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-10-iodo-2-(trifluoromethyl)decane
• Synonyms: 2-(Perfluoro-7-methyloctyl)ethyl iodide; 1H,1H,2H,2H-Perfluoro-9-methyldecyl iodide 98%

Database IDs

• CAS Number: 40678-31-7
• MDL Number: MFCD00153247
• PubChem SID: 160972324
• PubChem CID: 2776209

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.020665
• LogD (pH = 7.4): 8.020665
• Log P: 8.020665
• Molar Refractivity: 67.0645 cm^3
• Polarizability: 26.644247 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%