ethyl 1-fluoroethenyl sulfite

C4H7FO3S — CID 87155448

IUPACethyl 1-fluoroethenyl sulfite
SMILESC=C(F)OS(=O)OCC
InChIInChI=1S/C4H7FO3S/c1-3-7-9(6)8-4(2)5/h2-3H2,1H3
InChIKeyDDPAFEMBJVWUKT-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.06
Rot. Bonds4

About ethyl 1-fluoroethenyl sulfite

ethyl 1-fluoroethenyl sulfite (PubChem CID 87155448) has the molecular formula C4H7FO3S and a molecular weight of 154.16 g/mol. Its IUPAC name is ethyl 1-fluoroethenyl sulfite.

Molecular Properties

Compound Nameethyl 1-fluoroethenyl sulfite
PubChem CID87155448
Molecular FormulaC4H7FO3S
Molecular Weight154.16 g/mol
Exact Mass154.01
IUPAC Nameethyl 1-fluoroethenyl sulfite
SMILESC=C(F)OS(=O)OCC
InChIInChI=1S/C4H7FO3S/c1-3-7-9(6)8-4(2)5/h2-3H2,1H3
InChIKeyDDPAFEMBJVWUKT-UHFFFAOYSA-N
XLogP1.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 sulfite?
The IUPAC name of ethyl 1-fluoroethenyl sulfite (CID 87155448) is ethyl 1-fluoroethenyl sulfite.
What is the SMILES notation for ethyl 1-fluoroethenyl sulfite?
The canonical SMILES for ethyl 1-fluoroethenyl sulfite is C=C(F)OS(=O)OCC.
What is the InChIKey of ethyl 1-fluoroethenyl sulfite?
The InChIKey is DDPAFEMBJVWUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO3S/c1-3-7-9(6)8-4(2)5/h2-3H2,1H3.
What are the key properties of ethyl 1-fluoroethenyl sulfite?
ethyl 1-fluoroethenyl sulfite has a molecular weight of 154.16 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-fluoroethenyl sulfite is sourced from PubChem (CID 87155448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).