(5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate

C5H7FO6S — CID 90002903

IUPAC(5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate
SMILESCOC(=O)OC1CS(=O)(=O)OC1F
InChIInChI=1S/C5H7FO6S/c1-10-5(7)11-3-2-13(8,9)12-4(3)6/h3-4H,2H2,1H3
InChIKeyZZZUZDQNZMEWIO-UHFFFAOYSA-N
MW214.17 g/mol
LogP-0.21
Rot. Bonds1

About (5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate

(5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate (PubChem CID 90002903) has the molecular formula C5H7FO6S and a molecular weight of 214.17 g/mol. Its IUPAC name is (5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate.

Molecular Properties

Compound Name(5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate
PubChem CID90002903
Molecular FormulaC5H7FO6S
Molecular Weight214.17 g/mol
Exact Mass213.99
IUPAC Name(5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate
SMILESCOC(=O)OC1CS(=O)(=O)OC1F
InChIInChI=1S/C5H7FO6S/c1-10-5(7)11-3-2-13(8,9)12-4(3)6/h3-4H,2H2,1H3
InChIKeyZZZUZDQNZMEWIO-UHFFFAOYSA-N
XLogP-0.21
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate?
The IUPAC name of (5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate (CID 90002903) is (5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate.
What is the SMILES notation for (5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate?
The canonical SMILES for (5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate is COC(=O)OC1CS(=O)(=O)OC1F.
What is the InChIKey of (5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate?
The InChIKey is ZZZUZDQNZMEWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO6S/c1-10-5(7)11-3-2-13(8,9)12-4(3)6/h3-4H,2H2,1H3.
What are the key properties of (5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate?
(5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate has a molecular weight of 214.17 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,2-dioxooxathiolan-4-yl) methyl carbonate is sourced from PubChem (CID 90002903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).