4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol

C10H10F2O4S — CID 60878413

IUPAC4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(Oc2ccc(F)c(F)c2)C1
InChIInChI=1S/C10H10F2O4S/c11-7-2-1-6(3-8(7)12)16-10-5-17(14,15)4-9(10)13/h1-3,9-10,13H,4-5H2
InChIKeyWAUMXPAUWHWJRD-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.50
Rot. Bonds2

About 4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol

4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol (PubChem CID 60878413) has the molecular formula C10H10F2O4S and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol
PubChem CID60878413
Molecular FormulaC10H10F2O4S
Molecular Weight264.25 g/mol
Exact Mass264.03
IUPAC Name4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CC(O)C(Oc2ccc(F)c(F)c2)C1
InChIInChI=1S/C10H10F2O4S/c11-7-2-1-6(3-8(7)12)16-10-5-17(14,15)4-9(10)13/h1-3,9-10,13H,4-5H2
InChIKeyWAUMXPAUWHWJRD-UHFFFAOYSA-N
XLogP0.50
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol (CID 60878413) is 4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol is O=S1(=O)CC(O)C(Oc2ccc(F)c(F)c2)C1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol?
The InChIKey is WAUMXPAUWHWJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O4S/c11-7-2-1-6(3-8(7)12)16-10-5-17(14,15)4-9(10)13/h1-3,9-10,13H,4-5H2.
What are the key properties of 4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol?
4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol has a molecular weight of 264.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 60878413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).