8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid

C8H11FO4S — CID 155819629

IUPAC8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid
SMILESO=C(O)C1(F)CS(=O)(=O)CC12CCC2
InChIInChI=1S/C8H11FO4S/c9-8(6(10)11)5-14(12,13)4-7(8)2-1-3-7/h1-5H2,(H,10,11)
InChIKeyRPVPDVDDAXTHTC-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.38
Rot. Bonds1

About 8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid

8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid (PubChem CID 155819629) has the molecular formula C8H11FO4S and a molecular weight of 222.24 g/mol. Its IUPAC name is 8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid
PubChem CID155819629
Molecular FormulaC8H11FO4S
Molecular Weight222.24 g/mol
Exact Mass222.04
IUPAC Name8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid
SMILESO=C(O)C1(F)CS(=O)(=O)CC12CCC2
InChIInChI=1S/C8H11FO4S/c9-8(6(10)11)5-14(12,13)4-7(8)2-1-3-7/h1-5H2,(H,10,11)
InChIKeyRPVPDVDDAXTHTC-UHFFFAOYSA-N
XLogP0.38
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid?
The IUPAC name of 8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid (CID 155819629) is 8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid.
What is the SMILES notation for 8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid?
The canonical SMILES for 8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid is O=C(O)C1(F)CS(=O)(=O)CC12CCC2.
What is the InChIKey of 8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid?
The InChIKey is RPVPDVDDAXTHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO4S/c9-8(6(10)11)5-14(12,13)4-7(8)2-1-3-7/h1-5H2,(H,10,11).
What are the key properties of 8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid?
8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6,6-dioxo-6λ6-thiaspiro[3.4]octane-8-carboxylic acid is sourced from PubChem (CID 155819629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).