4-fluoro-3,4-dihydrooxathiine 2,2-dioxide

C4H5FO3S — CID 89251481

IUPAC4-fluoro-3,4-dihydrooxathiine 2,2-dioxide
SMILESO=S1(=O)CC(F)C=CO1
InChIInChI=1S/C4H5FO3S/c5-4-1-2-8-9(6,7)3-4/h1-2,4H,3H2
InChIKeyCHDWEUPPLALBAZ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.20
Rot. Bonds

About 4-fluoro-3,4-dihydrooxathiine 2,2-dioxide

4-fluoro-3,4-dihydrooxathiine 2,2-dioxide (PubChem CID 89251481) has the molecular formula C4H5FO3S and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-fluoro-3,4-dihydrooxathiine 2,2-dioxide.

Molecular Properties

Compound Name4-fluoro-3,4-dihydrooxathiine 2,2-dioxide
PubChem CID89251481
Molecular FormulaC4H5FO3S
Molecular Weight152.15 g/mol
Exact Mass151.99
IUPAC Name4-fluoro-3,4-dihydrooxathiine 2,2-dioxide
SMILESO=S1(=O)CC(F)C=CO1
InChIInChI=1S/C4H5FO3S/c5-4-1-2-8-9(6,7)3-4/h1-2,4H,3H2
InChIKeyCHDWEUPPLALBAZ-UHFFFAOYSA-N
XLogP0.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,4-dihydrooxathiine 2,2-dioxide?
The IUPAC name of 4-fluoro-3,4-dihydrooxathiine 2,2-dioxide (CID 89251481) is 4-fluoro-3,4-dihydrooxathiine 2,2-dioxide.
What is the SMILES notation for 4-fluoro-3,4-dihydrooxathiine 2,2-dioxide?
The canonical SMILES for 4-fluoro-3,4-dihydrooxathiine 2,2-dioxide is O=S1(=O)CC(F)C=CO1.
What is the InChIKey of 4-fluoro-3,4-dihydrooxathiine 2,2-dioxide?
The InChIKey is CHDWEUPPLALBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO3S/c5-4-1-2-8-9(6,7)3-4/h1-2,4H,3H2.
What are the key properties of 4-fluoro-3,4-dihydrooxathiine 2,2-dioxide?
4-fluoro-3,4-dihydrooxathiine 2,2-dioxide has a molecular weight of 152.15 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,4-dihydrooxathiine 2,2-dioxide is sourced from PubChem (CID 89251481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).