2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione

C15H11F2NO2 — CID 59067792

IUPAC2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione
SMILESCC(=O)C(C(=O)c1ccnc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C15H11F2NO2/c1-9(19)14(10-2-4-12(16)5-3-10)15(20)11-6-7-18-13(17)8-11/h2-8,14H,1H3
InChIKeyUZQWBYKGGSVLAG-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.92
Rot. Bonds4

About 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione

2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione (PubChem CID 59067792) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione
PubChem CID59067792
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione
SMILESCC(=O)C(C(=O)c1ccnc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C15H11F2NO2/c1-9(19)14(10-2-4-12(16)5-3-10)15(20)11-6-7-18-13(17)8-11/h2-8,14H,1H3
InChIKeyUZQWBYKGGSVLAG-UHFFFAOYSA-N
XLogP2.92
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione (CID 59067792) is 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione is CC(=O)C(C(=O)c1ccnc(F)c1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione?
The InChIKey is UZQWBYKGGSVLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c1-9(19)14(10-2-4-12(16)5-3-10)15(20)11-6-7-18-13(17)8-11/h2-8,14H,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione?
2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione has a molecular weight of 275.25 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione is sourced from PubChem (CID 59067792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).