EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID60379880

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID60379880


InChI Key	UMWCHHTXFDYJDZ-UHFFFAOYSA-N
Smiles	OC(COC(=O)C=C)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C11H9F11O3/c1-2-6(24)25-4-5(23)3-7(12,13)9(15,16)8(14,10(17,18)19)11(20,21)22/h2,5,23H,1,3-4H2

InChI Key

UMWCHHTXFDYJDZ-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1S/C11H9F11O3/c1-2-6(24)25-4-5(23)3-7(12,13)9(15,16)8(14,10(17,18)19)11(20,21)22/h2,5,23H,1,3-4H2

Property Name	Value
Molecular Formula	C11H9F11O3
Molecular Weight	398.04
AlogP	3.57
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	46.53
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C11H9F11O3

Molecular Weight

398.04

AlogP

3.57

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

46.53

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	16083-76-4
NORMAN SUSDAT
PubChem	2776196
ChemSpider	2056517.0

Resources

Reference

CAS NUMBER

16083-76-4

NORMAN SUSDAT

PubChem

2776196

ChemSpider

2056517.0

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

(PERFLUORO-3-METHYLBUTYL)-2-HYDROXYPROPYL ACRYLATE

Structure

Physicochemical Descriptors

Cross References