2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate

C14H7F2O5S- — CID 162450917

IUPAC2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate
SMILESO=C([O-])C(F)(F)Oc1ccc2c(c1)-c1ccccc1S2(=O)=O
InChIInChI=1S/C14H8F2O5S/c15-14(16,13(17)18)21-8-5-6-12-10(7-8)9-3-1-2-4-11(9)22(12,19)20/h1-7H,(H,17,18)/p-1
InChIKeyOZUDGQMLVOWCJS-UHFFFAOYSA-M
MW325.27 g/mol
LogP1.22
Rot. Bonds3

About 2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate

2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate (PubChem CID 162450917) has the molecular formula C14H7F2O5S- and a molecular weight of 325.27 g/mol. Its IUPAC name is 2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate.

Molecular Properties

Compound Name2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate
PubChem CID162450917
Molecular FormulaC14H7F2O5S-
Molecular Weight325.27 g/mol
Exact Mass325.00
IUPAC Name2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate
SMILESO=C([O-])C(F)(F)Oc1ccc2c(c1)-c1ccccc1S2(=O)=O
InChIInChI=1S/C14H8F2O5S/c15-14(16,13(17)18)21-8-5-6-12-10(7-8)9-3-1-2-4-11(9)22(12,19)20/h1-7H,(H,17,18)/p-1
InChIKeyOZUDGQMLVOWCJS-UHFFFAOYSA-M
XLogP1.22
TPSA83.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate?
The IUPAC name of 2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate (CID 162450917) is 2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate.
What is the SMILES notation for 2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate?
The canonical SMILES for 2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate is O=C([O-])C(F)(F)Oc1ccc2c(c1)-c1ccccc1S2(=O)=O.
What is the InChIKey of 2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate?
The InChIKey is OZUDGQMLVOWCJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8F2O5S/c15-14(16,13(17)18)21-8-5-6-12-10(7-8)9-3-1-2-4-11(9)22(12,19)20/h1-7H,(H,17,18)/p-1.
What are the key properties of 2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate?
2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate has a molecular weight of 325.27 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dioxodibenzothiophen-2-yl)oxy-2,2-difluoroacetate is sourced from PubChem (CID 162450917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).