fluoro prop-2-enyl sulfate

C3H5FO4S — CID 87087146

IUPACfluoro prop-2-enyl sulfate
SMILESC=CCOS(=O)(=O)OF
InChIInChI=1S/C3H5FO4S/c1-2-3-7-9(5,6)8-4/h2H,1,3H2
InChIKeyLFJGZENEGMJQMQ-UHFFFAOYSA-N
MW156.13 g/mol
LogP0.33
Rot. Bonds4

About fluoro prop-2-enyl sulfate

fluoro prop-2-enyl sulfate (PubChem CID 87087146) has the molecular formula C3H5FO4S and a molecular weight of 156.13 g/mol. Its IUPAC name is fluoro prop-2-enyl sulfate.

Molecular Properties

Compound Namefluoro prop-2-enyl sulfate
PubChem CID87087146
Molecular FormulaC3H5FO4S
Molecular Weight156.13 g/mol
Exact Mass155.99
IUPAC Namefluoro prop-2-enyl sulfate
SMILESC=CCOS(=O)(=O)OF
InChIInChI=1S/C3H5FO4S/c1-2-3-7-9(5,6)8-4/h2H,1,3H2
InChIKeyLFJGZENEGMJQMQ-UHFFFAOYSA-N
XLogP0.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 fluoro prop-2-enyl sulfate?
The IUPAC name of fluoro prop-2-enyl sulfate (CID 87087146) is fluoro prop-2-enyl sulfate.
What is the SMILES notation for fluoro prop-2-enyl sulfate?
The canonical SMILES for fluoro prop-2-enyl sulfate is C=CCOS(=O)(=O)OF.
What is the InChIKey of fluoro prop-2-enyl sulfate?
The InChIKey is LFJGZENEGMJQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO4S/c1-2-3-7-9(5,6)8-4/h2H,1,3H2.
What are the key properties of fluoro prop-2-enyl sulfate?
fluoro prop-2-enyl sulfate has a molecular weight of 156.13 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro prop-2-enyl sulfate is sourced from PubChem (CID 87087146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).