EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	1E2WN0VK6L
EPA CompTox	DTXSID40190398

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

1E2WN0VK6L

EPA CompTox

DTXSID40190398


InChI Key	QKIHLPFZYGFMDK-UHFFFAOYSA-N
Smiles	C(C(C(C(F)(F)[S](=O)(=O)O[S](C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(=O)=O)(F)F)(F)F)(F)(F)F
InChI	InChI=1S/C8F18O5S2/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(27,28)31-33(29,30)8(25,26)4(15,16)2(11,12)6(20,21)22

InChI Key

QKIHLPFZYGFMDK-UHFFFAOYSA-N

Smiles

C(C(C(C(F)(F)[S](=O)(=O)O[S](C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(=O)=O)(F)F)(F)F)(F)(F)F

InChI

InChI=1S/C8F18O5S2/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(27,28)31-33(29,30)8(25,26)4(15,16)2(11,12)6(20,21)22

Property Name	Value
Molecular Formula	C8F18O5S2
Molecular Weight	581.89
AlogP	4.51
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	8.0
Polar Surface Area	77.51
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C8F18O5S2

Molecular Weight

581.89

AlogP

4.51

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

8.0

Polar Surface Area

77.51

Heavy Atoms

33.0

Resources	Reference
CAS NUMBER	36913-91-4
NORMAN SUSDAT
FDA SRS	1E2WN0VK6L
PubChem	4281883
ChemSpider	3488470.0

Resources

Reference

CAS NUMBER

36913-91-4

NORMAN SUSDAT

FDA SRS

1E2WN0VK6L

PubChem

4281883

ChemSpider

3488470.0

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

PERFLUOROBUTANESULFONIC ANHYDRIDE

Structure

Physicochemical Descriptors

Cross References