EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	W6E782H3DU
EPA CompTox	DTXSID10184729

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

W6E782H3DU

EPA CompTox

DTXSID10184729


InChI Key	BZYSOYLWVDQYMZ-UHFFFAOYSA-N
Smiles	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C
InChI	InChI=1S/C12H5F17O2/c1-2-4(30)31-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H,1,3H2

InChI Key

BZYSOYLWVDQYMZ-UHFFFAOYSA-N

Smiles

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C

InChI

InChI=1S/C12H5F17O2/c1-2-4(30)31-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H,1,3H2

Property Name	Value
Molecular Formula	C12H5F17O2
Molecular Weight	504.0
AlogP	5.73
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	26.3
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C12H5F17O2

Molecular Weight

504.0

AlogP

5.73

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

9.0

Polar Surface Area

26.3

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	307-87-9
NORMAN SUSDAT
FDA SRS	W6E782H3DU
PubChem	3013855
ChemSpider	2282427.0

Resources

Reference

CAS NUMBER

307-87-9

NORMAN SUSDAT

FDA SRS

W6E782H3DU

PubChem

3013855

ChemSpider

2282427.0

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 ACRYLATE

Structure

Physicochemical Descriptors

Cross References