europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one

C14H9EuF3O2 — CID 158715426

IUPACeuropium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one
SMILESO=C(C=C(O)C(F)(F)F)c1ccc2ccccc2c1.[Eu]
InChIInChI=1S/C14H9F3O2.Eu/c15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11;/h1-8,19H;
InChIKeyTZTACFWQEYKGEB-UHFFFAOYSA-N
MW418.18 g/mol
LogP4.03
Rot. Bonds2

About europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one

europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one (PubChem CID 158715426) has the molecular formula C14H9EuF3O2 and a molecular weight of 418.18 g/mol. Its IUPAC name is europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one.

Molecular Properties

Compound Nameeuropium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one
PubChem CID158715426
Molecular FormulaC14H9EuF3O2
Molecular Weight418.18 g/mol
Exact Mass418.98
IUPAC Nameeuropium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one
SMILESO=C(C=C(O)C(F)(F)F)c1ccc2ccccc2c1.[Eu]
InChIInChI=1S/C14H9F3O2.Eu/c15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11;/h1-8,19H;
InChIKeyTZTACFWQEYKGEB-UHFFFAOYSA-N
XLogP4.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.18
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)
CID 135667027
naphthalene-2-carboxylic acid
CID 175967775
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
(Z)-3-amino-3-naphthalen-2-yl-1-phenylprop-2-en-1-one
CID 170551701
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one
CID 12782042
2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone
CID 56655281
N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide
CID 101486753
hexacene-2-carboxylic acid
CID 87430666
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
(1,1,1-trifluoro-4-naphthalen-2-yl-4-oxobut-2-en-2-yl) 4-(dimethylsulfamoyl)benzoate
CID 4540181

Frequently Asked Questions

What is the IUPAC name of europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one?
The IUPAC name of europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one (CID 158715426) is europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one.
What is the SMILES notation for europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one?
The canonical SMILES for europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one is O=C(C=C(O)C(F)(F)F)c1ccc2ccccc2c1.[Eu].
What is the InChIKey of europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one?
The InChIKey is TZTACFWQEYKGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2.Eu/c15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11;/h1-8,19H;.
What are the key properties of europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one?
europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one has a molecular weight of 418.18 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for europium;4,4,4-trifluoro-3-hydroxy-1-naphthalen-2-ylbut-2-en-1-one is sourced from PubChem (CID 158715426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).