EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70177778

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70177778


InChI Key	GOIWZZQXWJVDOG-UHFFFAOYSA-N
Smiles	FC(F)(F)COS(=O)(=O)C(Cl)(Cl)Cl
InChI	InChI=1S/C3H2Cl3F3O3S/c4-3(5,6)13(10,11)12-1-2(7,8)9/h1H2

InChI Key

GOIWZZQXWJVDOG-UHFFFAOYSA-N

Smiles

FC(F)(F)COS(=O)(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C3H2Cl3F3O3S/c4-3(5,6)13(10,11)12-1-2(7,8)9/h1H2

Property Name	Value
Molecular Formula	C3H2Cl3F3O3S1
Molecular Weight	279.87
AlogP	2.22
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	43.37
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C3H2Cl3F3O3S1

Molecular Weight

279.87

AlogP

2.22

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

43.37

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	23199-56-6
NORMAN SUSDAT
PubChem	90027
ChemSpider	81272.0

Resources

Reference

CAS NUMBER

23199-56-6

NORMAN SUSDAT

PubChem

90027

ChemSpider

81272.0

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...

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Last update: Monday, 3 November 2025

2,2,2-TRIFLUOROETHYL TRICHLOROMETHANESULPHONATE

Structure

Physicochemical Descriptors

Cross References