EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	25E5DZ5GL8
EPA CompTox	DTXSID50229163

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

25E5DZ5GL8

EPA CompTox

DTXSID50229163


InChI Key	PISDRBMXQBSCIP-UHFFFAOYSA-N
Smiles	FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl
InChI	InChI=1/C8H4Cl3F13Si/c9-25(10,11)2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1-2H2

InChI Key

PISDRBMXQBSCIP-UHFFFAOYSA-N

Smiles

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl

InChI

InChI=1/C8H4Cl3F13Si/c9-25(10,11)2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)24/h1-2H2

Property Name	Value
Molecular Formula	C8H4Cl3F13Si
Molecular Weight	479.89
AlogP	6.77
Number of Rotational Bond	7.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C8H4Cl3F13Si

Molecular Weight

479.89

AlogP

6.77

Number of Rotational Bond

7.0

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	78560-45-9
NORMAN SUSDAT
FDA SRS	25E5DZ5GL8
PubChem	123578

Resources

Reference

CAS NUMBER

78560-45-9

NORMAN SUSDAT

FDA SRS

25E5DZ5GL8

PubChem

123578

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

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

Structure

Physicochemical Descriptors

Cross References