(2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid

C17H9FO4 — CID 155555177

IUPAC(2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)/C(=C\c1ccc(F)cc1)C2=O
InChIInChI=1S/C17H9FO4/c18-11-4-1-9(2-5-11)7-14-15(19)12-6-3-10(17(21)22)8-13(12)16(14)20/h1-8H,(H,21,22)/b14-7-
InChIKeyKNXFCODEBNFLNL-AUWJEWJLSA-N
MW296.25 g/mol
LogP2.99
Rot. Bonds2

About (2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid

(2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid (PubChem CID 155555177) has the molecular formula C17H9FO4 and a molecular weight of 296.25 g/mol. Its IUPAC name is (2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid.

Molecular Properties

Compound Name(2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid
PubChem CID155555177
Molecular FormulaC17H9FO4
Molecular Weight296.25 g/mol
Exact Mass296.05
IUPAC Name(2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)/C(=C\c1ccc(F)cc1)C2=O
InChIInChI=1S/C17H9FO4/c18-11-4-1-9(2-5-11)7-14-15(19)12-6-3-10(17(21)22)8-13(12)16(14)20/h1-8H,(H,21,22)/b14-7-
InChIKeyKNXFCODEBNFLNL-AUWJEWJLSA-N
XLogP2.99
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid?
The IUPAC name of (2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid (CID 155555177) is (2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid.
What is the SMILES notation for (2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid?
The canonical SMILES for (2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)/C(=C\c1ccc(F)cc1)C2=O.
What is the InChIKey of (2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid?
The InChIKey is KNXFCODEBNFLNL-AUWJEWJLSA-N. The full InChI is InChI=1S/C17H9FO4/c18-11-4-1-9(2-5-11)7-14-15(19)12-6-3-10(17(21)22)8-13(12)16(14)20/h1-8H,(H,21,22)/b14-7-.
What are the key properties of (2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid?
(2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid has a molecular weight of 296.25 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-fluorophenyl)methylidene]-1,3-dioxoindene-5-carboxylic acid is sourced from PubChem (CID 155555177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).