EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID6067836

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID6067836


InChI Key	KLOHTAIHCCMZIL-UHFFFAOYSA-N
Smiles	C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(=O)C=C
InChI	InChI=1S/C19H7F29O2/c1-2-5(49)50-4-3-6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)16(40,41)17(42,43)18(44,45)19(46,47)48/h2H,1,3-4H2

InChI Key

KLOHTAIHCCMZIL-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1S/C19H7F29O2/c1-2-5(49)50-4-3-6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)16(40,41)17(42,43)18(44,45)19(46,47)48/h2H,1,3-4H2

Property Name	Value
Molecular Formula	C19H7F29O2
Molecular Weight	818.0
AlogP	9.93
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	16.0
Polar Surface Area	26.3
Heavy Atoms	50.0

Property Name

Value

Molecular Formula

C19H7F29O2

Molecular Weight

818.0

AlogP

9.93

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

16.0

Polar Surface Area

26.3

Heavy Atoms

50.0

Resources	Reference
CAS NUMBER	34362-49-7
NORMAN SUSDAT
PubChem	118656
ChemSpider	106033.0

Resources

Reference

CAS NUMBER

34362-49-7

NORMAN SUSDAT

PubChem

118656

ChemSpider

106033.0

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

1,1,2,2-TETRAHYDROPERFLUOROHEXADECYL ACRYLATE

Structure

Physicochemical Descriptors

Cross References