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

C4H5FO3S — CID 89251607

IUPAC6-fluoro-3,4-dihydrooxathiine 2,2-dioxide
SMILESO=S1(=O)CCC=C(F)O1
InChIInChI=1S/C4H5FO3S/c5-4-2-1-3-9(6,7)8-4/h2H,1,3H2
InChIKeyCFPLKCODPBAHFC-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.55
Rot. Bonds

About 6-fluoro-3,4-dihydrooxathiine 2,2-dioxide

6-fluoro-3,4-dihydrooxathiine 2,2-dioxide (PubChem CID 89251607) has the molecular formula C4H5FO3S and a molecular weight of 152.15 g/mol. Its IUPAC name is 6-fluoro-3,4-dihydrooxathiine 2,2-dioxide.

Molecular Properties

Compound Name6-fluoro-3,4-dihydrooxathiine 2,2-dioxide
PubChem CID89251607
Molecular FormulaC4H5FO3S
Molecular Weight152.15 g/mol
Exact Mass151.99
IUPAC Name6-fluoro-3,4-dihydrooxathiine 2,2-dioxide
SMILESO=S1(=O)CCC=C(F)O1
InChIInChI=1S/C4H5FO3S/c5-4-2-1-3-9(6,7)8-4/h2H,1,3H2
InChIKeyCFPLKCODPBAHFC-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-fluoro-3,4-dihydrooxathiine 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-4,5-dihydro-3H-oxathiepine 2,2-dioxide
CID 89251362
5-Fluoro-3,4-dihydrooxathiine 2,2-dioxide
CID 89251384
4-Fluoro-3,4-dihydrooxathiine 2,2-dioxide
CID 89251481
3-Fluoro-3,4-dihydrooxathiine 2,2-dioxide
CID 89251548

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4-dihydrooxathiine 2,2-dioxide?
The IUPAC name of 6-fluoro-3,4-dihydrooxathiine 2,2-dioxide (CID 89251607) is 6-fluoro-3,4-dihydrooxathiine 2,2-dioxide.
What is the SMILES notation for 6-fluoro-3,4-dihydrooxathiine 2,2-dioxide?
The canonical SMILES for 6-fluoro-3,4-dihydrooxathiine 2,2-dioxide is O=S1(=O)CCC=C(F)O1.
What is the InChIKey of 6-fluoro-3,4-dihydrooxathiine 2,2-dioxide?
The InChIKey is CFPLKCODPBAHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO3S/c5-4-2-1-3-9(6,7)8-4/h2H,1,3H2.
What are the key properties of 6-fluoro-3,4-dihydrooxathiine 2,2-dioxide?
6-fluoro-3,4-dihydrooxathiine 2,2-dioxide has a molecular weight of 152.15 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4-dihydrooxathiine 2,2-dioxide is sourced from PubChem (CID 89251607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).