trifluoroethene-1-sulfonyl fluoride

• ChemBase ID: 15294
• Molecular Formular: C2F4O2S
• Molecular Mass: 164.0788128
• Monoisotopic Mass: 163.95551312
• SMILES: C(=C(F)F)(S(=O)(=O)F)F
• Canonical SMILES: FC(=C(S(=O)(=O)F)F)F
• InChI: InChI=1S/C2F4O2S/c3-1(4)2(5)9(6,7)8
• InChIKey: QARLOMBMXGVKNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoroethene-1-sulfonyl fluoride
• IUPAC Traditional name: trifluoroethenesulfonyl fluoride
• Synonyms: Trifluoroethenesufonyl fluoride

Database IDs

• CAS Number: 684-10-6
• MDL Number: MFCD06248848
• PubChem SID: 160978601
• PubChem CID: 2769671

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3821743
• LogD (pH = 7.4): 1.3821743
• Log P: 1.3821743
• Molar Refractivity: 29.5605 cm^3
• Polarizability: 8.465513 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 53-56°C

Safety Information

• Storage Warning: IRRITANT, CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 78%