3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one

C11H10FNO2S — CID 102390957

IUPAC3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCC1(C)OC(=S)N(c2ccccc2F)C1=O
InChIInChI=1S/C11H10FNO2S/c1-11(2)9(14)13(10(16)15-11)8-6-4-3-5-7(8)12/h3-6H,1-2H3
InChIKeyOWOSDMFDWLQLAF-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.25
Rot. Bonds1

About 3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one

3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 102390957) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID102390957
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESCC1(C)OC(=S)N(c2ccccc2F)C1=O
InChIInChI=1S/C11H10FNO2S/c1-11(2)9(14)13(10(16)15-11)8-6-4-3-5-7(8)12/h3-6H,1-2H3
InChIKeyOWOSDMFDWLQLAF-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.25
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 3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of 3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one (CID 102390957) is 3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for 3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one is CC1(C)OC(=S)N(c2ccccc2F)C1=O.
What is the InChIKey of 3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is OWOSDMFDWLQLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-11(2)9(14)13(10(16)15-11)8-6-4-3-5-7(8)12/h3-6H,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one?
3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 239.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5,5-dimethyl-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 102390957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).