EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID3071351

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID3071351


InChI Key	NBFKXQZHVNHRSB-UHFFFAOYSA-N
Smiles	C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F
InChI	InChI=1S/C9F20O2S/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31

InChI Key

NBFKXQZHVNHRSB-UHFFFAOYSA-N

Smiles

C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C9F20O2S/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31

Property Name	Value
Molecular Formula	C9F20O2S1
Molecular Weight	551.93
AlogP	5.89
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	8.0
Polar Surface Area	34.14
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C9F20O2S1

Molecular Weight

551.93

AlogP

5.89

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

8.0

Polar Surface Area

34.14

Heavy Atoms

32.0

Resources	Reference
CAS NUMBER	68259-06-3
NORMAN SUSDAT
PubChem	109945
ChemSpider	98755.0

Resources

Reference

CAS NUMBER

68259-06-3

NORMAN SUSDAT

PubChem

109945

ChemSpider

98755.0

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

PERFLUORONONANESULFONYL FLUORIDE

Structure

Physicochemical Descriptors

Cross References