(2-bromoethyl)pentafluoro-$l^{6}-sulfane

• ChemBase ID: 100760
• Molecular Formular: C2H4BrF5S
• Molecular Mass: 235.014176
• Monoisotopic Mass: 233.91372423
• SMILES: S(F)(F)(CCBr)(F)(F)F
• Canonical SMILES: BrCCS(F)(F)(F)(F)F
• InChI: InChI=1S/C2H4BrF5S/c3-1-2-9(4,5,6,7)8/h1-2H2
• InChIKey: JVXOYDNEHDYIHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromoethyl)pentafluoro-$l^{6}-sulfane
• IUPAC Traditional name: (2-bromoethyl)pentafluoro-$l^{6}-sulfane
• Synonyms: 2-Bromoethylsulphur pentafluoride

Database IDs

• MDL Number: MFCD04038880
• PubChem SID: 162087808
• PubChem CID: 2782249

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0752
• LogD (pH = 7.4): 3.0752
• Log P: 3.0752
• Molar Refractivity: 31.0382 cm^3
• Polarizability: 11.84132 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant