EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID00880420

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID00880420


InChI Key	KDUYSMPJTYKVBA-UHFFFAOYSA-N
Smiles	CC(=C)C(=O)OC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChI	InChI=1S/C15H8F20O2/c1-4(2)5(36)37-6(17)8(20,21)10(24,25)12(28,29)14(32,33)15(34,35)13(30,31)11(26,27)9(22,23)7(18,19)3-16/h6H,1,3H2,2H3

InChI Key

KDUYSMPJTYKVBA-UHFFFAOYSA-N

Smiles

CC(=C)C(=O)OC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF

InChI

InChI=1S/C15H8F20O2/c1-4(2)5(36)37-6(17)8(20,21)10(24,25)12(28,29)14(32,33)15(34,35)13(30,31)11(26,27)9(22,23)7(18,19)3-16/h6H,1,3H2,2H3

Property Name	Value
Molecular Formula	C15H8F20O2
Molecular Weight	600.02
AlogP	7.09
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	12.0
Polar Surface Area	26.3
Heavy Atoms	37.0

Property Name

Value

Molecular Formula

C15H8F20O2

Molecular Weight

600.02

AlogP

7.09

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

12.0

Polar Surface Area

26.3

Heavy Atoms

37.0

Resources	Reference
CAS NUMBER	41123-44-8
NORMAN SUSDAT
PubChem	3084815
ChemSpider	2056739.0

Resources

Reference

CAS NUMBER

41123-44-8

NORMAN SUSDAT

PubChem

3084815

ChemSpider

2056739.0

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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-ICOSAFLUOROUNDECYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References