EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID80510950

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID80510950


InChI Key	UQBUBNOZWZCKIV-UHFFFAOYSA-N
Smiles	FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(F)(=O)=O
InChI	InChI=1S/C10ClF21O3S/c11-7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)35-9(28,29)10(30,31)36(32,33)34

InChI Key

UQBUBNOZWZCKIV-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1S/C10ClF21O3S/c11-7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)35-9(28,29)10(30,31)36(32,33)34

Property Name	Value
Molecular Formula	C10Cl1F21O3S1
Molecular Weight	633.89
AlogP	6.72
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	11.0
Polar Surface Area	43.37
Heavy Atoms	36.0

Property Name

Value

Molecular Formula

C10Cl1F21O3S1

Molecular Weight

633.89

AlogP

6.72

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

11.0

Polar Surface Area

43.37

Heavy Atoms

36.0

Resources	Reference
CAS NUMBER	73606-15-2
NORMAN SUSDAT
PubChem	12829600
ChemSpider	26554137.0

Resources

Reference

CAS NUMBER

73606-15-2

NORMAN SUSDAT

PubChem

12829600

ChemSpider

26554137.0

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

11-CHLOROPERFLUORO-3-OXAUNDECANESULFONYL FLUORIDE

Structure

Physicochemical Descriptors

Cross References