3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid

C14H8FNO4S — CID 63639688

IUPAC3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C1C(=O)N(Cc2ccsc2C(=O)O)c2ccc(F)cc21
InChIInChI=1S/C14H8FNO4S/c15-8-1-2-10-9(5-8)11(17)13(18)16(10)6-7-3-4-21-12(7)14(19)20/h1-5H,6H2,(H,19,20)
InChIKeyRRKNCCFGKHALTE-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.31
Rot. Bonds3

About 3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid

3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 63639688) has the molecular formula C14H8FNO4S and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID63639688
Molecular FormulaC14H8FNO4S
Molecular Weight305.29 g/mol
Exact Mass305.02
IUPAC Name3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid
SMILESO=C1C(=O)N(Cc2ccsc2C(=O)O)c2ccc(F)cc21
InChIInChI=1S/C14H8FNO4S/c15-8-1-2-10-9(5-8)11(17)13(18)16(10)6-7-3-4-21-12(7)14(19)20/h1-5H,6H2,(H,19,20)
InChIKeyRRKNCCFGKHALTE-UHFFFAOYSA-N
XLogP2.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid (CID 63639688) is 3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid is O=C1C(=O)N(Cc2ccsc2C(=O)O)c2ccc(F)cc21.
What is the InChIKey of 3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is RRKNCCFGKHALTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO4S/c15-8-1-2-10-9(5-8)11(17)13(18)16(10)6-7-3-4-21-12(7)14(19)20/h1-5H,6H2,(H,19,20).
What are the key properties of 3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid?
3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 305.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 63639688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).