5-fluoro-2-phenylindene-1,3-dione

C15H9FO2 — CID 3043662

IUPAC5-fluoro-2-phenylindene-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)C1c1ccccc1
InChIInChI=1S/C15H9FO2/c16-10-6-7-11-12(8-10)15(18)13(14(11)17)9-4-2-1-3-5-9/h1-8,13H
InChIKeyXBMADVPYRHESEM-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.99
Rot. Bonds1

About 5-fluoro-2-phenylindene-1,3-dione

5-fluoro-2-phenylindene-1,3-dione (PubChem CID 3043662) has the molecular formula C15H9FO2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 5-fluoro-2-phenylindene-1,3-dione.

Molecular Properties

Compound Name5-fluoro-2-phenylindene-1,3-dione
PubChem CID3043662
Molecular FormulaC15H9FO2
Molecular Weight240.23 g/mol
Exact Mass240.06
IUPAC Name5-fluoro-2-phenylindene-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)C1c1ccccc1
InChIInChI=1S/C15H9FO2/c16-10-6-7-11-12(8-10)15(18)13(14(11)17)9-4-2-1-3-5-9/h1-8,13H
InChIKeyXBMADVPYRHESEM-UHFFFAOYSA-N
XLogP2.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phenylindene-1,3-dione?
The IUPAC name of 5-fluoro-2-phenylindene-1,3-dione (CID 3043662) is 5-fluoro-2-phenylindene-1,3-dione.
What is the SMILES notation for 5-fluoro-2-phenylindene-1,3-dione?
The canonical SMILES for 5-fluoro-2-phenylindene-1,3-dione is O=C1c2ccc(F)cc2C(=O)C1c1ccccc1.
What is the InChIKey of 5-fluoro-2-phenylindene-1,3-dione?
The InChIKey is XBMADVPYRHESEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FO2/c16-10-6-7-11-12(8-10)15(18)13(14(11)17)9-4-2-1-3-5-9/h1-8,13H.
What are the key properties of 5-fluoro-2-phenylindene-1,3-dione?
5-fluoro-2-phenylindene-1,3-dione has a molecular weight of 240.23 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-phenylindene-1,3-dione is sourced from PubChem (CID 3043662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).