europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione

C13H9EuFO2S — CID 157335642

IUPACeuropium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione
SMILESO=C(CC(=O)c1cccs1)c1ccc(F)cc1.[Eu]
InChIInChI=1S/C13H9FO2S.Eu/c14-10-5-3-9(4-6-10)11(15)8-12(16)13-2-1-7-17-13;/h1-7H,8H2;
InChIKeyBFUPJWOEDGIXSG-UHFFFAOYSA-N
MW400.24 g/mol
LogP3.34
Rot. Bonds4

About europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione

europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione (PubChem CID 157335642) has the molecular formula C13H9EuFO2S and a molecular weight of 400.24 g/mol. Its IUPAC name is europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione.

Molecular Properties

Compound Nameeuropium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione
PubChem CID157335642
Molecular FormulaC13H9EuFO2S
Molecular Weight400.24 g/mol
Exact Mass400.95
IUPAC Nameeuropium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione
SMILESO=C(CC(=O)c1cccs1)c1ccc(F)cc1.[Eu]
InChIInChI=1S/C13H9FO2S.Eu/c14-10-5-3-9(4-6-10)11(15)8-12(16)13-2-1-7-17-13;/h1-7H,8H2;
InChIKeyBFUPJWOEDGIXSG-UHFFFAOYSA-N
XLogP3.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.24
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropane-1,3-dione
CID 18175410
1-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione
CID 18175606
1-(4-prop-2-ynoxyphenyl)-3-thiophen-2-ylpropane-1,3-dione
CID 18175635
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 46570598
2,4-dioxo-4-thiophen-2-ylbutanoic acid
CID 2771674
2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone
CID 177424685
N-[2-(4-fluorophenyl)-3-oxoprop-2-enyl]thiophene-2-carboxamide
CID 166453822
1-(4-bromophenyl)-3-(4-fluorophenyl)propane-1,3-dione
CID 131954889
1-(2-sulfanylphenyl)-3-thiophen-2-ylpropane-1,3-dione
CID 154715547
2-chloro-2-(4-fluorophenyl)-1-thiophen-2-ylethanone
CID 81242371
amino 3-oxo-3-thiophen-2-ylpropanoate
CID 68635142
3-anilino-1-thiophen-2-ylpropan-1-one
CID 2824394

Frequently Asked Questions

What is the IUPAC name of europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione?
The IUPAC name of europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione (CID 157335642) is europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione.
What is the SMILES notation for europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione?
The canonical SMILES for europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione is O=C(CC(=O)c1cccs1)c1ccc(F)cc1.[Eu].
What is the InChIKey of europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione?
The InChIKey is BFUPJWOEDGIXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO2S.Eu/c14-10-5-3-9(4-6-10)11(15)8-12(16)13-2-1-7-17-13;/h1-7H,8H2;.
What are the key properties of europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione?
europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione has a molecular weight of 400.24 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione is sourced from PubChem (CID 157335642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).