1,3-diphenylpropane-1,3-dione;dihydrofluoride

C15H14F2O2 — CID 159485423

IUPAC1,3-diphenylpropane-1,3-dione;dihydrofluoride
SMILESF.F.O=C(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O2.2FH/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;/h1-10H,11H2;2*1H
InChIKeyLXNCSWQBCDDXPM-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.45
Rot. Bonds4

About 1,3-diphenylpropane-1,3-dione;dihydrofluoride

1,3-diphenylpropane-1,3-dione;dihydrofluoride (PubChem CID 159485423) has the molecular formula C15H14F2O2 and a molecular weight of 264.27 g/mol. Its IUPAC name is 1,3-diphenylpropane-1,3-dione;dihydrofluoride.

Molecular Properties

Compound Name1,3-diphenylpropane-1,3-dione;dihydrofluoride
PubChem CID159485423
Molecular FormulaC15H14F2O2
Molecular Weight264.27 g/mol
Exact Mass264.10
IUPAC Name1,3-diphenylpropane-1,3-dione;dihydrofluoride
SMILESF.F.O=C(CC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O2.2FH/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;/h1-10H,11H2;2*1H
InChIKeyLXNCSWQBCDDXPM-UHFFFAOYSA-N
XLogP3.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
3-oxo-3-phenylpropanoic acid;silver
CID 87120895
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
(3-oxo-3-phenylpropanoyl) 3-oxo-3-phenylpropanoate
CID 87499200
chromium(2+);tris(3-oxo-3-phenylpropanoate)
CID 20833080
tetrakis(2,4-dioxo-4-phenylbutanoic acid);zirconium(4+)
CID 175883253
silver 3-oxo-3-phenylpropanoate
CID 86633512
erbium;1-phenylbutane-1,3-dione
CID 175058632
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 10354535
cobalt(2+);bis(2,4-dioxo-4-phenylbutanoate)
CID 175080767
chromium(3+);2,4-dioxo-4-phenylbutanoate
CID 172832057
3-(4-benzoylphenyl)-3-oxopropanoic acid
CID 170886863

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropane-1,3-dione;dihydrofluoride?
The IUPAC name of 1,3-diphenylpropane-1,3-dione;dihydrofluoride (CID 159485423) is 1,3-diphenylpropane-1,3-dione;dihydrofluoride.
What is the SMILES notation for 1,3-diphenylpropane-1,3-dione;dihydrofluoride?
The canonical SMILES for 1,3-diphenylpropane-1,3-dione;dihydrofluoride is F.F.O=C(CC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenylpropane-1,3-dione;dihydrofluoride?
The InChIKey is LXNCSWQBCDDXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2.2FH/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;;/h1-10H,11H2;2*1H.
What are the key properties of 1,3-diphenylpropane-1,3-dione;dihydrofluoride?
1,3-diphenylpropane-1,3-dione;dihydrofluoride has a molecular weight of 264.27 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropane-1,3-dione;dihydrofluoride is sourced from PubChem (CID 159485423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).