undecafluorocyclohexane-1-carbonyl bromide

• ChemBase ID: 93550
• Molecular Formular: C7BrF11O
• Molecular Mass: 388.9607352
• Monoisotopic Mass: 387.89568704
• SMILES: FC1(C(F)(C(F)(F)C(C(C1(F)F)(F)C(=O)Br)(F)F)F)F
• Canonical SMILES: BrC(=O)C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C7BrF11O/c8-1(20)2(9)3(10,11)5(14,15)7(18,19)6(16,17)4(2,12)13
• InChIKey: IMCJGMVADKNDTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undecafluorocyclohexane-1-carbonyl bromide
• IUPAC Traditional name: undecafluorocyclohexane-1-carbonyl bromide
• Synonyms: Perfluorocyclohexanecarbonyl bromide

Database IDs

• MDL Number: MFCD00156085
• PubChem SID: 162080235
• PubChem CID: 2782562

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1534834
• LogD (pH = 7.4): 4.1534834
• Log P: 4.1534834
• Molar Refractivity: 40.1922 cm^3
• Polarizability: 16.500694 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant