EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID30881369

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID30881369


InChI Key	HHEVANWCCJRBAP-UHFFFAOYSA-N
Smiles	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(=O)N1C(=O)CCC1=O
InChI	InChI=1S/C13H8F13NO3/c14-8(15,4-3-7(30)27-5(28)1-2-6(27)29)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1-4H2

InChI Key

HHEVANWCCJRBAP-UHFFFAOYSA-N

Smiles

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(=O)N1C(=O)CCC1=O

InChI

InChI=1S/C13H8F13NO3/c14-8(15,4-3-7(30)27-5(28)1-2-6(27)29)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1-4H2

Property Name	Value
Molecular Formula	C13H8F13N1O3
Molecular Weight	473.03
AlogP	4.18
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	54.45
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C13H8F13N1O3

Molecular Weight

473.03

AlogP

4.18

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

7.0

Polar Surface Area

54.45

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	932710-51-5
NORMAN SUSDAT
ChemSpider	17340504.0

Resources

Reference

CAS NUMBER

932710-51-5

NORMAN SUSDAT

ChemSpider

17340504.0

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

1-(4,4,5,5,6,6,7,7,8,8,9,9,9-TRIDECAFLUORO-1-OXONONYL)-2,5-PYRROLIDINEDIONE

Structure

Physicochemical Descriptors

Cross References