1-bromo-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane

• ChemBase ID: 7873
• Molecular Formular: C6BrF11
• Molecular Mass: 360.9506352
• Monoisotopic Mass: 359.90077242
• SMILES: C1(C(C(C(C(C1(F)F)(F)F)(Br)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)Br)(F)F
• InChI: InChI=1S/C6BrF11/c7-1(8)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
• InChIKey: ZAGWQKRFOLDLGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
• IUPAC Traditional name: 1-bromo-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane
• Synonyms: 1-Bromoundecafluorocyclohexane; Bromoperfluorocyclohexane 97%

Database IDs

• CAS Number: 336-13-0
• MDL Number: MFCD00153732
• PubChem SID: 160971180
• PubChem CID: 2736357

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.887287
• LogD (pH = 7.4): 4.887287
• Log P: 4.887287
• Molar Refractivity: 35.7431 cm^3
• Polarizability: 14.586608 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 92°C/735mm

Safety Information

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

Product Information

• Purity: 97%