1-bromo-2,2,3,3,4,4,5,5-octafluoro-1-(trifluoromethyl)cyclopentane

• ChemBase ID: 94256
• Molecular Formular: C6BrF11
• Molecular Mass: 360.9506352
• Monoisotopic Mass: 359.90077242
• SMILES: FC1(C(C(C(C1(Br)C(F)(F)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(C1(Br)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6BrF11/c7-1(6(16,17)18)2(8,9)4(12,13)5(14,15)3(1,10)11
• InChIKey: WODMJKXUZQZFRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2,2,3,3,4,4,5,5-octafluoro-1-(trifluoromethyl)cyclopentane
• IUPAC Traditional name: 1-bromo-2,2,3,3,4,4,5,5-octafluoro-1-(trifluoromethyl)cyclopentane
• Synonyms: 1-Bromooctafluoro-1-(trifluoromethyl)cyclopentane 97%

Database IDs

• CAS Number: 125112-68-7
• MDL Number: MFCD00077573
• PubChem SID: 162080911
• PubChem CID: 550387

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.591188
• LogD (pH = 7.4): 4.591188
• Log P: 4.591188
• Molar Refractivity: 36.0087 cm^3
• Polarizability: 14.582732 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant