EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID10379779

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID10379779


InChI Key	CAKZCCWLOCDNJK-UHFFFAOYSA-N
Smiles	FC1(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC1(F)F
InChI	InChI=1S/C10F20O5/c11-1(12)2(13,14)32-5(19,20)6(21,22)34-9(27,28)10(29,30)35-8(25,26)7(23,24)33-4(17,18)3(15,16)31-1

InChI Key

CAKZCCWLOCDNJK-UHFFFAOYSA-N

Smiles

FC1(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC1(F)F

InChI

InChI=1S/C10F20O5/c11-1(12)2(13,14)32-5(19,20)6(21,22)34-9(27,28)10(29,30)35-8(25,26)7(23,24)33-4(17,18)3(15,16)31-1

Property Name	Value
Molecular Formula	C10F20O5
Molecular Weight	579.94
AlogP	6.01
Hydrogen Bond Acceptor	5.0
Polar Surface Area	46.15
Heavy Atoms	35.0

Property Name

Value

Molecular Formula

C10F20O5

Molecular Weight

579.94

AlogP

6.01

Hydrogen Bond Acceptor

5.0

Polar Surface Area

46.15

Heavy Atoms

35.0

Resources	Reference
CAS NUMBER	97571-69-2
NORMAN SUSDAT
PubChem	2776038
ChemSpider	2056364.0

Resources

Reference

CAS NUMBER

97571-69-2

NORMAN SUSDAT

PubChem

2776038

ChemSpider

2056364.0

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

PERFLUORO-15-CROWN-5-ETHER

Structure

Physicochemical Descriptors

Cross References