EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	C8Q2U34I2X
EPA CompTox	DTXSID60873419

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

C8Q2U34I2X

EPA CompTox

DTXSID60873419


InChI Key	OPPWTDFHAFPGOT-UHFFFAOYSA-N
Smiles	NC(=O)c1nn(c(N)c1S(=O)C(F)(F)F)-c1c(Cl)cc(cc1Cl)C(F)(F)F
InChI	InChI=1S/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)

InChI Key

OPPWTDFHAFPGOT-UHFFFAOYSA-N

Smiles

NC(=O)c1nn(c(N)c1S(=O)C(F)(F)F)-c1c(Cl)cc(cc1Cl)C(F)(F)F

InChI

InChI=1S/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)

Property Name	Value
Molecular Formula	C12H6Cl2F6N4O2S1
Molecular Weight	453.95
AlogP	4.29
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	104.99
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C12H6Cl2F6N4O2S1

Molecular Weight

453.95

AlogP

4.29

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

104.99

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	205650-69-7
NORMAN SUSDAT
FDA SRS	C8Q2U34I2X
PubChem	9933690
ChemSpider	8109318.0

Resources

Reference

CAS NUMBER

205650-69-7

NORMAN SUSDAT

FDA SRS

C8Q2U34I2X

PubChem

9933690

ChemSpider

8109318.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

FIPRONIL AMIDE

Structure

Physicochemical Descriptors

Cross References