1-sulfonylpropyl hypofluorite

C3H5FO3S — CID 151411508

IUPAC1-sulfonylpropyl hypofluorite
SMILESCCC(OF)=S(=O)=O
InChIInChI=1S/C3H5FO3S/c1-2-3(7-4)8(5)6/h2H2,1H3
InChIKeyOYPVKPATSUKHJI-UHFFFAOYSA-N
MW140.13 g/mol
LogP0.31
Rot. Bonds1

About 1-sulfonylpropyl hypofluorite

1-sulfonylpropyl hypofluorite (PubChem CID 151411508) has the molecular formula C3H5FO3S and a molecular weight of 140.13 g/mol. Its IUPAC name is 1-sulfonylpropyl hypofluorite.

Molecular Properties

Compound Name1-sulfonylpropyl hypofluorite
PubChem CID151411508
Molecular FormulaC3H5FO3S
Molecular Weight140.13 g/mol
Exact Mass139.99
IUPAC Name1-sulfonylpropyl hypofluorite
SMILESCCC(OF)=S(=O)=O
InChIInChI=1S/C3H5FO3S/c1-2-3(7-4)8(5)6/h2H2,1H3
InChIKeyOYPVKPATSUKHJI-UHFFFAOYSA-N
XLogP0.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-sulfonylpropyl hypofluorite?
The IUPAC name of 1-sulfonylpropyl hypofluorite (CID 151411508) is 1-sulfonylpropyl hypofluorite.
What is the SMILES notation for 1-sulfonylpropyl hypofluorite?
The canonical SMILES for 1-sulfonylpropyl hypofluorite is CCC(OF)=S(=O)=O.
What is the InChIKey of 1-sulfonylpropyl hypofluorite?
The InChIKey is OYPVKPATSUKHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO3S/c1-2-3(7-4)8(5)6/h2H2,1H3.
What are the key properties of 1-sulfonylpropyl hypofluorite?
1-sulfonylpropyl hypofluorite has a molecular weight of 140.13 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfonylpropyl hypofluorite is sourced from PubChem (CID 151411508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).