prop-2-ene-1-sulfonyl fluoride

C3H5FO2S — CID 87228277

IUPACprop-2-ene-1-sulfonyl fluoride
SMILESC=CCS(=O)(=O)F
InChIInChI=1S/C3H5FO2S/c1-2-3-7(4,5)6/h2H,1,3H2
InChIKeyVCUZYBBQJRJJNJ-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.47
Rot. Bonds2

About prop-2-ene-1-sulfonyl fluoride

prop-2-ene-1-sulfonyl fluoride (PubChem CID 87228277) has the molecular formula C3H5FO2S and a molecular weight of 124.14 g/mol. Its IUPAC name is prop-2-ene-1-sulfonyl fluoride.

Molecular Properties

Compound Nameprop-2-ene-1-sulfonyl fluoride
PubChem CID87228277
Molecular FormulaC3H5FO2S
Molecular Weight124.14 g/mol
Exact Mass124.00
IUPAC Nameprop-2-ene-1-sulfonyl fluoride
SMILESC=CCS(=O)(=O)F
InChIInChI=1S/C3H5FO2S/c1-2-3-7(4,5)6/h2H,1,3H2
InChIKeyVCUZYBBQJRJJNJ-UHFFFAOYSA-N
XLogP0.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-ene-1-sulfonyl fluoride?
The IUPAC name of prop-2-ene-1-sulfonyl fluoride (CID 87228277) is prop-2-ene-1-sulfonyl fluoride.
What is the SMILES notation for prop-2-ene-1-sulfonyl fluoride?
The canonical SMILES for prop-2-ene-1-sulfonyl fluoride is C=CCS(=O)(=O)F.
What is the InChIKey of prop-2-ene-1-sulfonyl fluoride?
The InChIKey is VCUZYBBQJRJJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO2S/c1-2-3-7(4,5)6/h2H,1,3H2.
What are the key properties of prop-2-ene-1-sulfonyl fluoride?
prop-2-ene-1-sulfonyl fluoride has a molecular weight of 124.14 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ene-1-sulfonyl fluoride is sourced from PubChem (CID 87228277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).