EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
EPA CompTox	DTXSID701014782

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

EPA CompTox

DTXSID701014782


InChI Key	JIYALKNSIOHINA-UHFFFAOYSA-N
Smiles	[Eu+3].FC(F)(F)C(=O)[CH-]C(=O)C1=CC=CS1.FC(F)(F)C(=O)[CH-]C(=O)C1=CC=CS1.FC(F)(F)C(=O)[CH-]C(=O)C1=CC=CS1
InChI	InChI=1S/3C8H4F3O2S.Eu/c39-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h31-4H;/q3*-1;+3

InChI Key

JIYALKNSIOHINA-UHFFFAOYSA-N

Smiles

[Eu+3].FC(F)(F)C(=O)[CH-]C(=O)C1=CC=CS1.FC(F)(F)C(=O)[CH-]C(=O)C1=CC=CS1.FC(F)(F)C(=O)[CH-]C(=O)C1=CC=CS1

InChI

InChI=1S/3C8H4F3O2S.Eu/c3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h3*1-4H;/q3*-1;+3

Property Name	Value
Molecular Formula	C24H12EuF9O6S3
Molecular Weight	815.89
AlogP	6.8
Hydrogen Bond Acceptor	9.0
Number of Rotational Bond	9.0
Polar Surface Area	102.42
Heavy Atoms	43.0

Property Name

Value

Molecular Formula

C24H12EuF9O6S3

Molecular Weight

815.89

AlogP

6.8

Hydrogen Bond Acceptor

9.0

Number of Rotational Bond

9.0

Polar Surface Area

102.42

Heavy Atoms

43.0

Resources	Reference
CAS NUMBER	14054-87-6
NORMAN SUSDAT
PubChem	5488991

Resources

Reference

CAS NUMBER

14054-87-6

NORMAN SUSDAT

PubChem

5488991

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

EUROPIUM, TRIS[4,4,4-TRIFLUORO-1-(2-THIENYL)-1,3-BUTANEDIONATO]-

Structure

Physicochemical Descriptors

Cross References