1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(4-iodobutyl)cyclohexane

• ChemBase ID: 15269
• Molecular Formular: C10H8F11I
• Molecular Mass: 464.0574252
• Monoisotopic Mass: 463.94950868
• SMILES: C1(C(C(C(C(C1(F)F)(CCCCI)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICCCCC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H8F11I/c11-5(3-1-2-4-22)6(12,13)8(16,17)10(20,21)9(18,19)7(5,14)15/h1-4H2
• InChIKey: YPCPYZKAISYTCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(4-iodobutyl)cyclohexane
• IUPAC Traditional name: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(4-iodobutyl)cyclohexane
• Synonyms: (4-Iodobutyl)perfluorocyclohexane

Database IDs

• MDL Number: MFCD06247806
• PubChem SID: 160978576
• PubChem CID: 2769659

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.989893
• LogD (pH = 7.4): 5.989893
• Log P: 5.989893
• Molar Refractivity: 59.1865 cm^3
• Polarizability: 23.319197 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%