3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol

C10H10F2O3S — CID 63162513

IUPAC3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CCC(O)(c2cc(F)ccc2F)C1
InChIInChI=1S/C10H10F2O3S/c11-7-1-2-9(12)8(5-7)10(13)3-4-16(14,15)6-10/h1-2,5,13H,3-4,6H2
InChIKeyKBNOQBZKPJSPSK-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.97
Rot. Bonds1

About 3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol

3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol (PubChem CID 63162513) has the molecular formula C10H10F2O3S and a molecular weight of 248.25 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol
PubChem CID63162513
Molecular FormulaC10H10F2O3S
Molecular Weight248.25 g/mol
Exact Mass248.03
IUPAC Name3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CCC(O)(c2cc(F)ccc2F)C1
InChIInChI=1S/C10H10F2O3S/c11-7-1-2-9(12)8(5-7)10(13)3-4-16(14,15)6-10/h1-2,5,13H,3-4,6H2
InChIKeyKBNOQBZKPJSPSK-UHFFFAOYSA-N
XLogP0.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol?
The IUPAC name of 3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol (CID 63162513) is 3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol is O=S1(=O)CCC(O)(c2cc(F)ccc2F)C1.
What is the InChIKey of 3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol?
The InChIKey is KBNOQBZKPJSPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O3S/c11-7-1-2-9(12)8(5-7)10(13)3-4-16(14,15)6-10/h1-2,5,13H,3-4,6H2.
What are the key properties of 3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol?
3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol has a molecular weight of 248.25 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 63162513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).