europium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol

C21H19EuF3N2O2S — CID 58667422

IUPACeuropium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
SMILESCc1cc2cccnc2c2ncccc12.OC(CC(O)C(F)(F)F)c1cccs1.[Eu]
InChIInChI=1S/C13H10N2.C8H9F3O2S.Eu/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h2-8H,1H3;1-3,5,7,12-13H,4H2;
InChIKeyMMTNSCMMRUMILB-UHFFFAOYSA-N
MW572.42 g/mol
LogP5.19
Rot. Bonds3

About europium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol

europium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol (PubChem CID 58667422) has the molecular formula C21H19EuF3N2O2S and a molecular weight of 572.42 g/mol. Its IUPAC name is europium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol.

Molecular Properties

Compound Nameeuropium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
PubChem CID58667422
Molecular FormulaC21H19EuF3N2O2S
Molecular Weight572.42 g/mol
Exact Mass573.03
IUPAC Nameeuropium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
SMILESCc1cc2cccnc2c2ncccc12.OC(CC(O)C(F)(F)F)c1cccs1.[Eu]
InChIInChI=1S/C13H10N2.C8H9F3O2S.Eu/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h2-8H,1H3;1-3,5,7,12-13H,4H2;
InChIKeyMMTNSCMMRUMILB-UHFFFAOYSA-N
XLogP5.19
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.42
LogP ≤ 55.19
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

1-(Benzo[b]thiophen-3-yl)-3-(4-(quinolin-8-yl)piperazin-1-yl)propan-1-ol
CID 9846057
1-(5-Fluorobenzo[b]thiophen-3-yl)-3-(4-(quinolin-8-yl)piperazin-1-yl)propan-1-ol
CID 10112935
1-Benzo[b]thiophen-3-yl-3-(4-quinolin-3-yl-piperazin-1-yl)-propan-1-ol
CID 10916460
europium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one
CID 20606805
Disodium;europium;[7-(sulfonatomethyl)-1,10-phenanthrolin-4-yl]methanesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667399
Europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667404
Disodium;[2,9-bis(4-methylphenyl)-7-(sulfonatomethyl)-1,10-phenanthrolin-4-yl]methanesulfonate;europium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667413
Disodium;[2,9-dimethyl-7-(sulfonatomethyl)-1,10-phenanthrolin-4-yl]methanesulfonate;europium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667415
Disodium;europium;4-[7-(4-sulfinatooxyphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667417
disodium;europium;(Z)-2-[7-[(Z)-2-sulfonatoethenyl]-1,10-phenanthrolin-4-yl]ethenesulfonate;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
CID 58667431
Sodium;europium;(7-methyl-1,10-phenanthrolin-4-yl) sulfite;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667433
Disodium;4,7-bis(4-oxidoperoxysulfanylphenyl)-1,10-phenanthroline;europium;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol
CID 58667439

Frequently Asked Questions

What is the IUPAC name of europium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?
The IUPAC name of europium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol (CID 58667422) is europium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol.
What is the SMILES notation for europium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?
The canonical SMILES for europium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol is Cc1cc2cccnc2c2ncccc12.OC(CC(O)C(F)(F)F)c1cccs1.[Eu].
What is the InChIKey of europium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?
The InChIKey is MMTNSCMMRUMILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2.C8H9F3O2S.Eu/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h2-8H,1H3;1-3,5,7,12-13H,4H2;.
What are the key properties of europium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol?
europium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol has a molecular weight of 572.42 g/mol, XLogP of 5.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for europium;5-methyl-1,10-phenanthroline;4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-diol is sourced from PubChem (CID 58667422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).