EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID20382355

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID20382355


InChI Key	CBZXLVMVIMSMCZ-UHFFFAOYSA-N
Smiles	CCO[Si](CCC(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)C(F)(F)C(F)(F)F)(OCC)OCC
InChI	InChI=1S/C20H19F25O3Si/c1-4-46-49(47-5-2,48-6-3)8-7-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h4-8H2,1-3H3

InChI Key

CBZXLVMVIMSMCZ-UHFFFAOYSA-N

Smiles

CCO[Si](CCC(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)C(F)(F)C(F)(F)F)(OCC)OCC

InChI

InChI=1S/C20H19F25O3Si/c1-4-46-49(47-5-2,48-6-3)8-7-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h4-8H2,1-3H3

Property Name	Value
Molecular Formula	C20H19F25O3Si
Molecular Weight	810.07
AlogP	9.98
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	19.0
Polar Surface Area	27.69
Heavy Atoms	49.0

Property Name

Value

Molecular Formula

C20H19F25O3Si

Molecular Weight

810.07

AlogP

9.98

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

19.0

Polar Surface Area

27.69

Heavy Atoms

49.0

Resources	Reference
CAS NUMBER	885275-56-9
NORMAN SUSDAT

Resources

Reference

CAS NUMBER

885275-56-9

NORMAN SUSDAT

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

1H,1H,2H,2H-PERFLUOROTETRADECYLTRIETHOXYSILANE

Structure

Physicochemical Descriptors

Cross References