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

C9H5FO4 — CID 22361311

IUPAC5-fluoro-2,2-dihydroxyindene-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)C1(O)O
InChIInChI=1S/C9H5FO4/c10-4-1-2-5-6(3-4)8(12)9(13,14)7(5)11/h1-3,13-14H
InChIKeyFGEXOKDSGCWVPT-UHFFFAOYSA-N
MW196.13 g/mol
LogP-0.11
Rot. Bonds

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

5-fluoro-2,2-dihydroxyindene-1,3-dione (PubChem CID 22361311) has the molecular formula C9H5FO4 and a molecular weight of 196.13 g/mol. Its IUPAC name is 5-fluoro-2,2-dihydroxyindene-1,3-dione.

Molecular Properties

Compound Name5-fluoro-2,2-dihydroxyindene-1,3-dione
PubChem CID22361311
Molecular FormulaC9H5FO4
Molecular Weight196.13 g/mol
Exact Mass196.02
IUPAC Name5-fluoro-2,2-dihydroxyindene-1,3-dione
SMILESO=C1c2ccc(F)cc2C(=O)C1(O)O
InChIInChI=1S/C9H5FO4/c10-4-1-2-5-6(3-4)8(12)9(13,14)7(5)11/h1-3,13-14H
InChIKeyFGEXOKDSGCWVPT-UHFFFAOYSA-N
XLogP-0.11
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,2-dihydroxyindene-1,3-dione?
The IUPAC name of 5-fluoro-2,2-dihydroxyindene-1,3-dione (CID 22361311) is 5-fluoro-2,2-dihydroxyindene-1,3-dione.
What is the SMILES notation for 5-fluoro-2,2-dihydroxyindene-1,3-dione?
The canonical SMILES for 5-fluoro-2,2-dihydroxyindene-1,3-dione is O=C1c2ccc(F)cc2C(=O)C1(O)O.
What is the InChIKey of 5-fluoro-2,2-dihydroxyindene-1,3-dione?
The InChIKey is FGEXOKDSGCWVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO4/c10-4-1-2-5-6(3-4)8(12)9(13,14)7(5)11/h1-3,13-14H.
What are the key properties of 5-fluoro-2,2-dihydroxyindene-1,3-dione?
5-fluoro-2,2-dihydroxyindene-1,3-dione has a molecular weight of 196.13 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,2-dihydroxyindene-1,3-dione is sourced from PubChem (CID 22361311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).