bis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium

C25H28EuF3NO5 — CID 177066425

IUPACbis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium
SMILESCCC(C)=O.CCC(C)=O.CCn1c(=O)c(C(=O)C(F)(F)F)c(O)c2ccc3ccccc3c21.[Eu]
InChIInChI=1S/C17H12F3NO3.2C4H8O.Eu/c1-2-21-13-10-6-4-3-5-9(10)7-8-11(13)14(22)12(16(21)24)15(23)17(18,19)20;2*1-3-4(2)5;/h3-8,22H,2H2,1H3;2*3H2,1-2H3;
InChIKeyMTFSPILWIPESRL-UHFFFAOYSA-N
MW631.46 g/mol
LogP5.60
Rot. Bonds4

About bis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium

bis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium (PubChem CID 177066425) has the molecular formula C25H28EuF3NO5 and a molecular weight of 631.46 g/mol. Its IUPAC name is bis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium.

Molecular Properties

Compound Namebis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium
PubChem CID177066425
Molecular FormulaC25H28EuF3NO5
Molecular Weight631.46 g/mol
Exact Mass632.11
IUPAC Namebis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium
SMILESCCC(C)=O.CCC(C)=O.CCn1c(=O)c(C(=O)C(F)(F)F)c(O)c2ccc3ccccc3c21.[Eu]
InChIInChI=1S/C17H12F3NO3.2C4H8O.Eu/c1-2-21-13-10-6-4-3-5-9(10)7-8-11(13)14(22)12(16(21)24)15(23)17(18,19)20;2*1-3-4(2)5;/h3-8,22H,2H2,1H3;2*3H2,1-2H3;
InChIKeyMTFSPILWIPESRL-UHFFFAOYSA-N
XLogP5.60
TPSA93.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.46
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-bis(2-methylphenyl)phosphoryl-2-methylbenzene;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium
CID 177066358
4,7-dimethyl-1,10-phenanthroline;1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium
CID 177066142
4-hydroxy-1-phenyl-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one
CID 166465000
4-hydroxy-3-(2,2,2-trifluoroacetyl)-1-[4-(trifluoromethyl)phenyl]benzo[h]quinolin-2-one
CID 166464996
1-dibutylphosphorylbutane;4-ethyl-1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;europium;hydrate
CID 177066341
4-hydroxy-1-methyl-3-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-h]quinolin-2-one
CID 166464994
diphenylphosphorylbenzene;europium;3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-4-hydroxy-1-phenylbenzo[h]quinolin-2-one
CID 177066162
gadolinium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;dihydrate
CID 177066561
1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one
CID 54704797
diphenylphosphorylbenzene;europium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;hydrate
CID 177066165
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
1-dioctylphosphoryloctane;diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one
CID 177066013

Frequently Asked Questions

What is the IUPAC name of bis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium?
The IUPAC name of bis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium (CID 177066425) is bis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium.
What is the SMILES notation for bis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium?
The canonical SMILES for bis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium is CCC(C)=O.CCC(C)=O.CCn1c(=O)c(C(=O)C(F)(F)F)c(O)c2ccc3ccccc3c21.[Eu].
What is the InChIKey of bis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium?
The InChIKey is MTFSPILWIPESRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO3.2C4H8O.Eu/c1-2-21-13-10-6-4-3-5-9(10)7-8-11(13)14(22)12(16(21)24)15(23)17(18,19)20;2*1-3-4(2)5;/h3-8,22H,2H2,1H3;2*3H2,1-2H3;.
What are the key properties of bis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium?
bis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium has a molecular weight of 631.46 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butan-2-one);1-ethyl-4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one;europium is sourced from PubChem (CID 177066425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).