EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID60382152

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID60382152


InChI Key	IRSPIQIRIUYUGF-UHFFFAOYSA-N
Smiles	FC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(F)(=O)=O
InChI	InChI=1S/C4F10O3S/c5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16

InChI Key

IRSPIQIRIUYUGF-UHFFFAOYSA-N

Smiles

FC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(F)(=O)=O

InChI

InChI=1S/C4F10O3S/c5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16

Property Name	Value
Molecular Formula	C4F10O3S1
Molecular Weight	317.94
AlogP	2.64
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	43.37
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C4F10O3S1

Molecular Weight

317.94

AlogP

2.64

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

4.0

Polar Surface Area

43.37

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	67990-78-7
NORMAN SUSDAT
PubChem	2782567
ChemSpider	2062721.0

Resources

Reference

CAS NUMBER

67990-78-7

NORMAN SUSDAT

PubChem

2782567

ChemSpider

2062721.0

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

1,1,2,2-TETRAFLUORO-2-(PENTAFLUOROETHOXY)ETHANE-1-SULFONYL FLUORIDE

Structure

Physicochemical Descriptors

Cross References