1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone

C12H13FO5S — CID 63069387

IUPAC1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OC1CS(=O)(=O)CC1O
InChIInChI=1S/C12H13FO5S/c1-7(14)9-3-2-8(13)4-11(9)18-12-6-19(16,17)5-10(12)15/h2-4,10,12,15H,5-6H2,1H3
InChIKeyUAZGBEVQUBOKRC-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.56
Rot. Bonds3

About 1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone

1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone (PubChem CID 63069387) has the molecular formula C12H13FO5S and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone
PubChem CID63069387
Molecular FormulaC12H13FO5S
Molecular Weight288.30 g/mol
Exact Mass288.05
IUPAC Name1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone
SMILESCC(=O)c1ccc(F)cc1OC1CS(=O)(=O)CC1O
InChIInChI=1S/C12H13FO5S/c1-7(14)9-3-2-8(13)4-11(9)18-12-6-19(16,17)5-10(12)15/h2-4,10,12,15H,5-6H2,1H3
InChIKeyUAZGBEVQUBOKRC-UHFFFAOYSA-N
XLogP0.56
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone?
The IUPAC name of 1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone (CID 63069387) is 1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone is CC(=O)c1ccc(F)cc1OC1CS(=O)(=O)CC1O.
What is the InChIKey of 1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone?
The InChIKey is UAZGBEVQUBOKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO5S/c1-7(14)9-3-2-8(13)4-11(9)18-12-6-19(16,17)5-10(12)15/h2-4,10,12,15H,5-6H2,1H3.
What are the key properties of 1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone?
1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone has a molecular weight of 288.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(4-hydroxy-1,1-dioxothiolan-3-yl)oxyphenyl]ethanone is sourced from PubChem (CID 63069387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).