4-(5-fluoroindol-1-yl)-4-oxobutanoic acid

C12H10FNO3 — CID 2782734

IUPAC4-(5-fluoroindol-1-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)n1ccc2cc(F)ccc21
InChIInChI=1S/C12H10FNO3/c13-9-1-2-10-8(7-9)5-6-14(10)11(15)3-4-12(16)17/h1-2,5-7H,3-4H2,(H,16,17)
InChIKeyDYZXOQSXLXIVHL-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.29
Rot. Bonds3

About 4-(5-fluoroindol-1-yl)-4-oxobutanoic acid

4-(5-fluoroindol-1-yl)-4-oxobutanoic acid (PubChem CID 2782734) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 4-(5-fluoroindol-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(5-fluoroindol-1-yl)-4-oxobutanoic acid
PubChem CID2782734
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name4-(5-fluoroindol-1-yl)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)n1ccc2cc(F)ccc21
InChIInChI=1S/C12H10FNO3/c13-9-1-2-10-8(7-9)5-6-14(10)11(15)3-4-12(16)17/h1-2,5-7H,3-4H2,(H,16,17)
InChIKeyDYZXOQSXLXIVHL-UHFFFAOYSA-N
XLogP2.29
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoroindol-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(5-fluoroindol-1-yl)-4-oxobutanoic acid (CID 2782734) is 4-(5-fluoroindol-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(5-fluoroindol-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(5-fluoroindol-1-yl)-4-oxobutanoic acid is O=C(O)CCC(=O)n1ccc2cc(F)ccc21.
What is the InChIKey of 4-(5-fluoroindol-1-yl)-4-oxobutanoic acid?
The InChIKey is DYZXOQSXLXIVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c13-9-1-2-10-8(7-9)5-6-14(10)11(15)3-4-12(16)17/h1-2,5-7H,3-4H2,(H,16,17).
What are the key properties of 4-(5-fluoroindol-1-yl)-4-oxobutanoic acid?
4-(5-fluoroindol-1-yl)-4-oxobutanoic acid has a molecular weight of 235.21 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoroindol-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 2782734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).