4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione

C11H7FO4 — CID 91267663

IUPAC4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione
SMILESO=C1C(=O)C(O)C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C11H7FO4/c12-6-3-1-5(2-4-6)7-8(13)10(15)11(16)9(7)14/h1-4,7-8,13H
InChIKeyXASODEBZRXVNBB-UHFFFAOYSA-N
MW222.17 g/mol
LogP-0.01
Rot. Bonds1

About 4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione

4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione (PubChem CID 91267663) has the molecular formula C11H7FO4 and a molecular weight of 222.17 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione
PubChem CID91267663
Molecular FormulaC11H7FO4
Molecular Weight222.17 g/mol
Exact Mass222.03
IUPAC Name4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione
SMILESO=C1C(=O)C(O)C(c2ccc(F)cc2)C1=O
InChIInChI=1S/C11H7FO4/c12-6-3-1-5(2-4-6)7-8(13)10(15)11(16)9(7)14/h1-4,7-8,13H
InChIKeyXASODEBZRXVNBB-UHFFFAOYSA-N
XLogP-0.01
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione?
The IUPAC name of 4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione (CID 91267663) is 4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione.
What is the SMILES notation for 4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione?
The canonical SMILES for 4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione is O=C1C(=O)C(O)C(c2ccc(F)cc2)C1=O.
What is the InChIKey of 4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione?
The InChIKey is XASODEBZRXVNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO4/c12-6-3-1-5(2-4-6)7-8(13)10(15)11(16)9(7)14/h1-4,7-8,13H.
What are the key properties of 4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione?
4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione has a molecular weight of 222.17 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-hydroxycyclopentane-1,2,3-trione is sourced from PubChem (CID 91267663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).