trifluoroethenyl chloranesulfonate

• ChemBase ID: 100855
• Molecular Formular: C2ClF3O3S
• Molecular Mass: 196.5328096
• Monoisotopic Mass: 195.9208772
• SMILES: O(C(=C(F)F)F)S(=O)(=O)Cl
• Canonical SMILES: FC(=C(F)F)OS(=O)(=O)Cl
• InChI: InChI=1S/C2ClF3O3S/c3-10(7,8)9-2(6)1(4)5
• InChIKey: WCODVGWFRZCRDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoroethenyl chloranesulfonate
• IUPAC Traditional name: trifluoroethenyl chloranesulfonate
• Synonyms: Trifluorovinyl chlorosulphate

Database IDs

• CAS Number: 923-15-9
• MDL Number: MFCD01075259
• PubChem SID: 162087856
• PubChem CID: 2778010

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5094513
• LogD (pH = 7.4): 1.5094513
• Log P: 1.5094513
• Molar Refractivity: 46.8618 cm^3
• Polarizability: 11.227157 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 77-78°C

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive