1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iododecane

• ChemBase ID: 11994
• Molecular Formular: C10H6F15I
• Molecular Mass: 538.035158
• Monoisotopic Mass: 537.92747149
• SMILES: C(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(I)C
• Canonical SMILES: CC(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
• InChI: InChI=1S/C10H6F15I/c1-3(26)2-4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h3H,2H2,1H3
• InChIKey: NUNKCHDMLFIONG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iododecane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iododecane
• Synonyms: 2-Iodo-1H,1H,1H,2H,3H,3H-perfluorodecane; 2-Iodo-1H,1H,1H,2H,3H,3H-perfluorodecane 97%

Database IDs

• CAS Number: 25291-12-7
• MDL Number: MFCD00156017
• PubChem SID: 160975301
• PubChem CID: 2775183

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.1938405
• LogD (pH = 7.4): 7.1938405
• Log P: 7.1938405
• Molar Refractivity: 61.9224 cm^3
• Polarizability: 24.43421 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%