europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate

C12H11EuF3O7 — CID 177066413

IUPACeuropium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate
SMILESCOc1ccc2c(O)c(C(=O)C(F)(F)F)c(=O)oc2c1.O.O.[Eu]
InChIInChI=1S/C12H7F3O5.Eu.2H2O/c1-19-5-2-3-6-7(4-5)20-11(18)8(9(6)16)10(17)12(13,14)15;;;/h2-4,16H,1H3;;2*1H2
InChIKeyPEHNXLWRMFLZDI-UHFFFAOYSA-N
MW476.17 g/mol
LogP0.60
Rot. Bonds2

About europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate

europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate (PubChem CID 177066413) has the molecular formula C12H11EuF3O7 and a molecular weight of 476.17 g/mol. Its IUPAC name is europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate.

Molecular Properties

Compound Nameeuropium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate
PubChem CID177066413
Molecular FormulaC12H11EuF3O7
Molecular Weight476.17 g/mol
Exact Mass476.97
IUPAC Nameeuropium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate
SMILESCOc1ccc2c(O)c(C(=O)C(F)(F)F)c(=O)oc2c1.O.O.[Eu]
InChIInChI=1S/C12H7F3O5.Eu.2H2O/c1-19-5-2-3-6-7(4-5)20-11(18)8(9(6)16)10(17)12(13,14)15;;;/h2-4,16H,1H3;;2*1H2
InChIKeyPEHNXLWRMFLZDI-UHFFFAOYSA-N
XLogP0.60
TPSA139.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.17
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-6-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 167299735
4-hydroxy-7-(N-methylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 167299727
europium;4-hydroxy-7-(N-phenylanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate
CID 177066602
4-(4-cyano-N-[4-hydroxy-2-oxo-3-(2,2,2-trifluoroacetyl)chromen-7-yl]anilino)benzonitrile
CID 167299982
3-hydroxy-6-methoxy-1-benzofuran-2-carbaldehyde
CID 135980369
7-[N-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)anilino]-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 167299945
3-hydroxy-6-methoxy-1-benzofuran-2-carboxylic acid
CID 54725263
7-methoxy-4-methyl-3-(trifluoromethyl)chromen-2-one
CID 73437941
4-hydroxy-3-(4-iodophenoxy)-7-methoxychromen-2-one
CID 54678677
4-hydroxy-7-methoxy-3-(4-methylphenyl)sulfonylchromen-2-one
CID 54695448
4-(4-methoxyanilino)-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 102416335
4-chloro-7-(dimethylamino)-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 123294448

Frequently Asked Questions

What is the IUPAC name of europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate?
The IUPAC name of europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate (CID 177066413) is europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate.
What is the SMILES notation for europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate?
The canonical SMILES for europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate is COc1ccc2c(O)c(C(=O)C(F)(F)F)c(=O)oc2c1.O.O.[Eu].
What is the InChIKey of europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate?
The InChIKey is PEHNXLWRMFLZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O5.Eu.2H2O/c1-19-5-2-3-6-7(4-5)20-11(18)8(9(6)16)10(17)12(13,14)15;;;/h2-4,16H,1H3;;2*1H2.
What are the key properties of europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate?
europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate has a molecular weight of 476.17 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for europium;4-hydroxy-7-methoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;dihydrate is sourced from PubChem (CID 177066413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).