EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	VDD7D2VGK2
EPA CompTox	DTXSID40235137

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

VDD7D2VGK2

EPA CompTox

DTXSID40235137


InChI Key	FNWFDWVZPJMYPV-UHFFFAOYSA-N
Smiles	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[SiH2]C(OC)OC
InChI	InChI=1/C11H13F13O2Si/c1-25-5(26-2)27-4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5H,3-4,27H2,1-2H3

InChI Key

FNWFDWVZPJMYPV-UHFFFAOYSA-N

Smiles

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[SiH2]C(OC)OC

InChI

InChI=1/C11H13F13O2Si/c1-25-5(26-2)27-4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5H,3-4,27H2,1-2H3

Property Name	Value
Molecular Formula	C11H13F13O2Si
Molecular Weight	452.05
AlogP	4.28
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	18.46
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C11H13F13O2Si

Molecular Weight

452.05

AlogP

4.28

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

10.0

Polar Surface Area

18.46

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	85857-17-6
NORMAN SUSDAT
FDA SRS	VDD7D2VGK2

Resources

Reference

CAS NUMBER

85857-17-6

NORMAN SUSDAT

FDA SRS

VDD7D2VGK2

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DIMETHOXYMETHYL(3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL)SILANE

Structure

Physicochemical Descriptors

Cross References