europium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal)

C24H15EuF9O6S3 — CID 175886210

IUPACeuropium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal)
SMILESO=CC(C(=O)C(F)(F)F)c1cccs1.O=CC(C(=O)C(F)(F)F)c1cccs1.O=CC(C(=O)C(F)(F)F)c1cccs1.[Eu]
InChIInChI=1S/3C8H5F3O2S.Eu/c3*9-8(10,11)7(13)5(4-12)6-2-1-3-14-6;/h3*1-5H;
InChIKeyOATWDMKQTTZSQA-UHFFFAOYSA-N
MW818.52 g/mol
LogP6.49
Rot. Bonds9

About europium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal)

europium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal) (PubChem CID 175886210) has the molecular formula C24H15EuF9O6S3 and a molecular weight of 818.52 g/mol. Its IUPAC name is europium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal).

Molecular Properties

Compound Nameeuropium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal)
PubChem CID175886210
Molecular FormulaC24H15EuF9O6S3
Molecular Weight818.52 g/mol
Exact Mass818.91
IUPAC Nameeuropium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal)
SMILESO=CC(C(=O)C(F)(F)F)c1cccs1.O=CC(C(=O)C(F)(F)F)c1cccs1.O=CC(C(=O)C(F)(F)F)c1cccs1.[Eu]
InChIInChI=1S/3C8H5F3O2S.Eu/c3*9-8(10,11)7(13)5(4-12)6-2-1-3-14-6;/h3*1-5H;
InChIKeyOATWDMKQTTZSQA-UHFFFAOYSA-N
XLogP6.49
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.52
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3,4-dibromo-1,1,1-trifluoro-4-thiophen-2-ylbutan-2-one
CID 24756305
2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 62733554
2-hydroxy-2-methyl-4-oxo-3-thiophen-2-ylbutanoic acid
CID 175736427
N-tert-butyl-N-(tert-butylcarbamothioyl)-3-oxo-2-thiophen-2-ylpropanamide
CID 173309768
2,2-difluoro-3-hydroxy-3-thiophen-2-ylpropanehydrazide
CID 86748367
2,2,2-trifluoro-1-thiophen-2-ylethanol
CID 10954147
2-formamido-2-thiophen-2-ylacetic acid
CID 21492681
4,4,4-trifluoro-N,N-dimethyl-3-oxo-2-(thiophene-2-carbonyl)butanamide
CID 141435454
2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one
CID 103749127
4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoic acid
CID 57367558
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014

Frequently Asked Questions

What is the IUPAC name of europium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal)?
The IUPAC name of europium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal) (CID 175886210) is europium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal).
What is the SMILES notation for europium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal)?
The canonical SMILES for europium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal) is O=CC(C(=O)C(F)(F)F)c1cccs1.O=CC(C(=O)C(F)(F)F)c1cccs1.O=CC(C(=O)C(F)(F)F)c1cccs1.[Eu].
What is the InChIKey of europium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal)?
The InChIKey is OATWDMKQTTZSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H5F3O2S.Eu/c3*9-8(10,11)7(13)5(4-12)6-2-1-3-14-6;/h3*1-5H;.
What are the key properties of europium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal)?
europium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal) has a molecular weight of 818.52 g/mol, XLogP of 6.49, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for europium;tris(4,4,4-trifluoro-3-oxo-2-thiophen-2-ylbutanal) is sourced from PubChem (CID 175886210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).