1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-iodohexane

• ChemBase ID: 11996
• Molecular Formular: C6H2F11I
• Molecular Mass: 409.9669852
• Monoisotopic Mass: 409.90255848
• SMILES: C(I)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: ICC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6H2F11I/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h1H2
• InChIKey: NVPYUCSZZRWYML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-iodohexane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-iodohexane
• Synonyms: 1-Iodo-1H,1H-perfluorohexane; 1-Iodo-1H,1H-perfluorohexane 97%

Database IDs

• CAS Number: 335-50-2
• MDL Number: MFCD04038314
• PubChem SID: 160975303
• PubChem CID: 2782380

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.824846
• LogD (pH = 7.4): 4.824846
• Log P: 4.824846
• Molar Refractivity: 43.931 cm^3
• Polarizability: 17.416351 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: none°C

Safety Information

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

Product Information

• Purity: 97%