5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one

C11H11FO2S — CID 102443581

IUPAC5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one
SMILESO=C1CCC(CSc2ccc(F)cc2)O1
InChIInChI=1S/C11H11FO2S/c12-8-1-4-10(5-2-8)15-7-9-3-6-11(13)14-9/h1-2,4-5,9H,3,6-7H2
InChIKeyJRMVZNIVGPXLMD-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.62
Rot. Bonds3

About 5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one

5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one (PubChem CID 102443581) has the molecular formula C11H11FO2S and a molecular weight of 226.27 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one
PubChem CID102443581
Molecular FormulaC11H11FO2S
Molecular Weight226.27 g/mol
Exact Mass226.05
IUPAC Name5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one
SMILESO=C1CCC(CSc2ccc(F)cc2)O1
InChIInChI=1S/C11H11FO2S/c12-8-1-4-10(5-2-8)15-7-9-3-6-11(13)14-9/h1-2,4-5,9H,3,6-7H2
InChIKeyJRMVZNIVGPXLMD-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one?
The IUPAC name of 5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one (CID 102443581) is 5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one.
What is the SMILES notation for 5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one?
The canonical SMILES for 5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one is O=C1CCC(CSc2ccc(F)cc2)O1.
What is the InChIKey of 5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one?
The InChIKey is JRMVZNIVGPXLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2S/c12-8-1-4-10(5-2-8)15-7-9-3-6-11(13)14-9/h1-2,4-5,9H,3,6-7H2.
What are the key properties of 5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one?
5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one has a molecular weight of 226.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)sulfanylmethyl]oxolan-2-one is sourced from PubChem (CID 102443581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).