EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	92697CF2UK
EPA CompTox	DTXSID80197407

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

92697CF2UK

EPA CompTox

DTXSID80197407


InChI Key	ZDXYSIRXXGOEEA-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)F
InChI	InChI=1S/C13H7F17O2/c1-4(2)5(31)32-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h1,3H2,2H3

InChI Key

ZDXYSIRXXGOEEA-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)F

InChI

InChI=1S/C13H7F17O2/c1-4(2)5(31)32-3-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h1,3H2,2H3

Property Name	Value
Molecular Formula	C13H7F17O2
Molecular Weight	518.02
AlogP	6.12
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	26.3
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C13H7F17O2

Molecular Weight

518.02

AlogP

6.12

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

9.0

Polar Surface Area

26.3

Heavy Atoms

32.0

Resources	Reference
CAS NUMBER	48077-33-4
NORMAN SUSDAT
FDA SRS	92697CF2UK
PubChem	3016470
ChemSpider	2284411.0

Resources

Reference

CAS NUMBER

48077-33-4

NORMAN SUSDAT

FDA SRS

92697CF2UK

PubChem

3016470

ChemSpider

2284411.0

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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-HEPTADECAFLUORONONYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References