europium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol

C20H17EuF3N2O2S — CID 59824640

IUPACeuropium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
SMILESOC(CC(O)C(F)(F)F)c1cccs1.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C8H9F3O2S.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-8H;1-3,5,7,12-13H,4H2;
InChIKeyLQXSPCMIHICNMZ-UHFFFAOYSA-N
MW558.39 g/mol
LogP4.88
Rot. Bonds3

About europium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol

europium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol (PubChem CID 59824640) has the molecular formula C20H17EuF3N2O2S and a molecular weight of 558.39 g/mol. Its IUPAC name is europium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol.

Molecular Properties

Compound Nameeuropium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
PubChem CID59824640
Molecular FormulaC20H17EuF3N2O2S
Molecular Weight558.39 g/mol
Exact Mass559.02
IUPAC Nameeuropium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
SMILESOC(CC(O)C(F)(F)F)c1cccs1.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C8H9F3O2S.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-8H;1-3,5,7,12-13H,4H2;
InChIKeyLQXSPCMIHICNMZ-UHFFFAOYSA-N
XLogP4.88
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.39
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-(1-Benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-ol
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Eu(TTA)3phen
CID 72479493
(1,10-PHENANTHROLINE)TRIS[4,4,4-TRIFLUORO-1-(2-THIENYL)-1,3-BUTANEDIONATO]EUROPIUM(III),98.0per cent
CID 15369070
europium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 20606805
europium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-methanidyloxy-4-thiophen-2-ylbut-3-en-2-one
CID 57553294
Disodium;europium;[7-(sulfonatomethyl)-1,10-phenanthrolin-4-yl]methanesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667399

Frequently Asked Questions

What is the IUPAC name of europium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?
The IUPAC name of europium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol (CID 59824640) is europium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol.
What is the SMILES notation for europium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?
The canonical SMILES for europium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol is OC(CC(O)C(F)(F)F)c1cccs1.[Eu].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?
The InChIKey is LQXSPCMIHICNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C8H9F3O2S.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h1-8H;1-3,5,7,12-13H,4H2;.
What are the key properties of europium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?
europium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol has a molecular weight of 558.39 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for europium;1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol is sourced from PubChem (CID 59824640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).