EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70724665

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70724665


InChI Key	YCGOFOKTNYLRPC-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)[Si](F)(O[Si](F)(F)O[Si](F)(F)F)C(F)(F)C(F)(F)F
InChI	InChI=1S/C10F28O2Si3/c11-1(12,3(15,16)5(19,20)7(23,24)25)2(13,14)4(17,18)6(21,22)9(29,30)41(33,10(31,32)8(26,27)28)39-43(37,38)40-42(34,35)36

InChI Key

YCGOFOKTNYLRPC-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)[Si](F)(O[Si](F)(F)O[Si](F)(F)F)C(F)(F)C(F)(F)F

InChI

InChI=1S/C10F28O2Si3/c11-1(12,3(15,16)5(19,20)7(23,24)25)2(13,14)4(17,18)6(21,22)9(29,30)41(33,10(31,32)8(26,27)28)39-43(37,38)40-42(34,35)36

Property Name	Value
Molecular Formula	C10F28O2Si3
Molecular Weight	767.88
AlogP	8.44
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	12.0
Polar Surface Area	18.46
Heavy Atoms	43.0

Property Name

Value

Molecular Formula

C10F28O2Si3

Molecular Weight

767.88

AlogP

8.44

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

12.0

Polar Surface Area

18.46

Heavy Atoms

43.0

Resources	Reference
CAS NUMBER	163921-85-5
NORMAN SUSDAT

Resources

Reference

CAS NUMBER

163921-85-5

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

1,1,1,3,3,5-HEXAFLUORO-5-(HEPTADECAFLUOROOCTYL)-5-(PENTAFLUOROETHYL)TRISILOXANE

Structure

Physicochemical Descriptors

Cross References