ethyl 1-fluoroethenyl sulfate

C4H7FO4S — CID 87154791

IUPACethyl 1-fluoroethenyl sulfate
SMILESC=C(F)OS(=O)(=O)OCC
InChIInChI=1S/C4H7FO4S/c1-3-8-10(6,7)9-4(2)5/h2-3H2,1H3
InChIKeyOUIVDLYLFLTHSB-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.73
Rot. Bonds4

About ethyl 1-fluoroethenyl sulfate

ethyl 1-fluoroethenyl sulfate (PubChem CID 87154791) has the molecular formula C4H7FO4S and a molecular weight of 170.16 g/mol. Its IUPAC name is ethyl 1-fluoroethenyl sulfate.

Molecular Properties

Compound Nameethyl 1-fluoroethenyl sulfate
PubChem CID87154791
Molecular FormulaC4H7FO4S
Molecular Weight170.16 g/mol
Exact Mass170.00
IUPAC Nameethyl 1-fluoroethenyl sulfate
SMILESC=C(F)OS(=O)(=O)OCC
InChIInChI=1S/C4H7FO4S/c1-3-8-10(6,7)9-4(2)5/h2-3H2,1H3
InChIKeyOUIVDLYLFLTHSB-UHFFFAOYSA-N
XLogP0.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-fluoroethenyl sulfate?
The IUPAC name of ethyl 1-fluoroethenyl sulfate (CID 87154791) is ethyl 1-fluoroethenyl sulfate.
What is the SMILES notation for ethyl 1-fluoroethenyl sulfate?
The canonical SMILES for ethyl 1-fluoroethenyl sulfate is C=C(F)OS(=O)(=O)OCC.
What is the InChIKey of ethyl 1-fluoroethenyl sulfate?
The InChIKey is OUIVDLYLFLTHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO4S/c1-3-8-10(6,7)9-4(2)5/h2-3H2,1H3.
What are the key properties of ethyl 1-fluoroethenyl sulfate?
ethyl 1-fluoroethenyl sulfate has a molecular weight of 170.16 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-fluoroethenyl sulfate is sourced from PubChem (CID 87154791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).