4-fluoro-9,10-dioxoanthracene-2-carboxylic acid

C15H7FO4 — CID 164618662

IUPAC4-fluoro-9,10-dioxoanthracene-2-carboxylic acid
SMILESO=C(O)c1cc(F)c2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H7FO4/c16-11-6-7(15(19)20)5-10-12(11)14(18)9-4-2-1-3-8(9)13(10)17/h1-6H,(H,19,20)
InChIKeyOMUWESAOLPTVMY-UHFFFAOYSA-N
MW270.22 g/mol
LogP2.30
Rot. Bonds1

About 4-fluoro-9,10-dioxoanthracene-2-carboxylic acid

4-fluoro-9,10-dioxoanthracene-2-carboxylic acid (PubChem CID 164618662) has the molecular formula C15H7FO4 and a molecular weight of 270.22 g/mol. Its IUPAC name is 4-fluoro-9,10-dioxoanthracene-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-9,10-dioxoanthracene-2-carboxylic acid
PubChem CID164618662
Molecular FormulaC15H7FO4
Molecular Weight270.22 g/mol
Exact Mass270.03
IUPAC Name4-fluoro-9,10-dioxoanthracene-2-carboxylic acid
SMILESO=C(O)c1cc(F)c2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H7FO4/c16-11-6-7(15(19)20)5-10-12(11)14(18)9-4-2-1-3-8(9)13(10)17/h1-6H,(H,19,20)
InChIKeyOMUWESAOLPTVMY-UHFFFAOYSA-N
XLogP2.30
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-9,10-dioxoanthracene-2-carboxylic acid?
The IUPAC name of 4-fluoro-9,10-dioxoanthracene-2-carboxylic acid (CID 164618662) is 4-fluoro-9,10-dioxoanthracene-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-9,10-dioxoanthracene-2-carboxylic acid?
The canonical SMILES for 4-fluoro-9,10-dioxoanthracene-2-carboxylic acid is O=C(O)c1cc(F)c2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 4-fluoro-9,10-dioxoanthracene-2-carboxylic acid?
The InChIKey is OMUWESAOLPTVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7FO4/c16-11-6-7(15(19)20)5-10-12(11)14(18)9-4-2-1-3-8(9)13(10)17/h1-6H,(H,19,20).
What are the key properties of 4-fluoro-9,10-dioxoanthracene-2-carboxylic acid?
4-fluoro-9,10-dioxoanthracene-2-carboxylic acid has a molecular weight of 270.22 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-9,10-dioxoanthracene-2-carboxylic acid is sourced from PubChem (CID 164618662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).