EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	23X5RT6S6V
EPA CompTox	DTXSID40197408

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

23X5RT6S6V

EPA CompTox

DTXSID40197408


InChI Key	QDIWIWGKFGVURE-UHFFFAOYSA-N
Smiles	CC(=C)C(=O)OCC(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)C(F)(F)F
InChI	InChI=1S/C15H7F21O2/c1-4(2)5(37)38-3-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h1,3H2,2H3

InChI Key

QDIWIWGKFGVURE-UHFFFAOYSA-N

Smiles

CC(=C)C(=O)OCC(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)C(F)(F)F

InChI

InChI=1S/C15H7F21O2/c1-4(2)5(37)38-3-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/h1,3H2,2H3

Property Name	Value
Molecular Formula	C15H7F21O2
Molecular Weight	618.01
AlogP	7.39
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	11.0
Polar Surface Area	26.3
Heavy Atoms	38.0

Property Name

Value

Molecular Formula

C15H7F21O2

Molecular Weight

618.01

AlogP

7.39

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

11.0

Polar Surface Area

26.3

Heavy Atoms

38.0

Resources	Reference
CAS NUMBER	48077-86-7
NORMAN SUSDAT
FDA SRS	23X5RT6S6V
PubChem	3016471
ChemSpider	2284412.0

Resources

Reference

CAS NUMBER

48077-86-7

NORMAN SUSDAT

FDA SRS

23X5RT6S6V

PubChem

3016471

ChemSpider

2284412.0

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

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

Structure

Physicochemical Descriptors

Cross References