prop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate

C5H5F5O3S — CID 87739246

IUPACprop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate
SMILESC=CCOS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5O3S/c1-2-3-13-14(11,12)5(9,10)4(6,7)8/h2H,1,3H2
InChIKeyGFDUUUMWILRNRX-UHFFFAOYSA-N
MW240.15 g/mol
LogP1.67
Rot. Bonds4

About prop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate

prop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate (PubChem CID 87739246) has the molecular formula C5H5F5O3S and a molecular weight of 240.15 g/mol. Its IUPAC name is prop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate.

Molecular Properties

Compound Nameprop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate
PubChem CID87739246
Molecular FormulaC5H5F5O3S
Molecular Weight240.15 g/mol
Exact Mass239.99
IUPAC Nameprop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate
SMILESC=CCOS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F5O3S/c1-2-3-13-14(11,12)5(9,10)4(6,7)8/h2H,1,3H2
InChIKeyGFDUUUMWILRNRX-UHFFFAOYSA-N
XLogP1.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate?
The IUPAC name of prop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate (CID 87739246) is prop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate.
What is the SMILES notation for prop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate?
The canonical SMILES for prop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate is C=CCOS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of prop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate?
The InChIKey is GFDUUUMWILRNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O3S/c1-2-3-13-14(11,12)5(9,10)4(6,7)8/h2H,1,3H2.
What are the key properties of prop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate?
prop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate has a molecular weight of 240.15 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 1,1,2,2,2-pentafluoroethanesulfonate is sourced from PubChem (CID 87739246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).