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

• ChemBase ID: 15270
• Molecular Formular: C8H4F11I
• Molecular Mass: 436.0042652
• Monoisotopic Mass: 435.91820855
• SMILES: C1(C(C(C(C(C1(F)F)(CCI)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICCC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H4F11I/c9-3(1-2-20)4(10,11)6(14,15)8(18,19)7(16,17)5(3,12)13/h1-2H2
• InChIKey: XFPWYFFENALKQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06247807
• PubChem SID: 160978577
• PubChem CID: 20029256

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0279617
• LogD (pH = 7.4): 5.0279617
• Log P: 5.0279617
• Molar Refractivity: 49.9409 cm^3
• Polarizability: 20.039356 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%