1,1,2,2-tetrafluoro-2-(prop-2-en-1-yloxy)ethane-1-sulfonyl fluoride

• ChemBase ID: 11807
• Molecular Formular: C5H5F5O3S
• Molecular Mass: 240.148416
• Monoisotopic Mass: 239.98795612
• SMILES: C(C(F)(OCC=C)F)(S(=O)(=O)F)(F)F
• Canonical SMILES: C=CCOC(C(S(=O)(=O)F)(F)F)(F)F
• InChI: InChI=1S/C5H5F5O3S/c1-2-3-13-4(6,7)5(8,9)14(10,11)12/h2H,1,3H2
• InChIKey: IMNCTHAFGYFIOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetrafluoro-2-(prop-2-en-1-yloxy)ethane-1-sulfonyl fluoride
• IUPAC Traditional name: 1,1,2,2-tetrafluoro-2-(prop-2-en-1-yloxy)ethanesulfonyl fluoride
• Synonyms: 2-[(Prop-2-en-1-yl)oxy]-1,1,2,2-tetrafluoroethanesulphonyl fluoride; 2-(Allyloxy)-1,1,2,2-tetrafluoroethanesulphonyl fluoride 97%; 2-Allyloxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride

Database IDs

• CAS Number: 73606-13-0
• MDL Number: MFCD03095419
• PubChem SID: 160975114
• PubChem CID: 2782219

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2810955
• LogD (pH = 7.4): 2.2810955
• Log P: 2.2810955
• Molar Refractivity: 37.2288 cm^3
• Polarizability: 14.409585 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 112-114°C
• Flash Point: none°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Moisture Sensitive/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 97%