2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione

C3H3FO4S — CID 58275977

IUPAC2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione
SMILESCS1(F)OC(=O)C(=O)O1
InChIInChI=1S/C3H3FO4S/c1-9(4)7-2(5)3(6)8-9/h1H3
InChIKeyODRJVBDFALDTIS-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.24
Rot. Bonds

About 2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione

2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione (PubChem CID 58275977) has the molecular formula C3H3FO4S and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione.

Molecular Properties

Compound Name2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione
PubChem CID58275977
Molecular FormulaC3H3FO4S
Molecular Weight154.12 g/mol
Exact Mass153.97
IUPAC Name2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione
SMILESCS1(F)OC(=O)C(=O)O1
InChIInChI=1S/C3H3FO4S/c1-9(4)7-2(5)3(6)8-9/h1H3
InChIKeyODRJVBDFALDTIS-UHFFFAOYSA-N
XLogP0.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione?
The IUPAC name of 2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione (CID 58275977) is 2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione.
What is the SMILES notation for 2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione?
The canonical SMILES for 2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione is CS1(F)OC(=O)C(=O)O1.
What is the InChIKey of 2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione?
The InChIKey is ODRJVBDFALDTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FO4S/c1-9(4)7-2(5)3(6)8-9/h1H3.
What are the key properties of 2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione?
2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione has a molecular weight of 154.12 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1,3,2-dioxathiolane-4,5-dione is sourced from PubChem (CID 58275977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).