EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6UZH4CP48X
EPA CompTox	DTXSID7059985

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6UZH4CP48X

EPA CompTox

DTXSID7059985


InChI Key	XOVNCWWRDSAYNE-UHFFFAOYSA-N
Smiles	FC(F)(F)CC[Si]1(O[Si](O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)(C)CCC(F)(F)F)C
InChI	InChI=1/C16H28F12O4Si4/c1-33(9-5-13(17,18)19)29-34(2,10-6-14(20,21)22)31-36(4,12-8-16(26,27)28)32-35(3,30-33)11-7-15(23,24)25/h5-12H2,1-4H3

InChI Key

XOVNCWWRDSAYNE-UHFFFAOYSA-N

Smiles

FC(F)(F)CC[Si]1(O[Si](O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)(C)CCC(F)(F)F)C

InChI

InChI=1/C16H28F12O4Si4/c1-33(9-5-13(17,18)19)29-34(2,10-6-14(20,21)22)31-36(4,12-8-16(26,27)28)32-35(3,30-33)11-7-15(23,24)25/h5-12H2,1-4H3

Property Name	Value
Molecular Formula	C16H28F12O4Si4
Molecular Weight	624.09
AlogP	8.16
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	8.0
Polar Surface Area	36.92
Heavy Atoms	36.0

Property Name

Value

Molecular Formula

C16H28F12O4Si4

Molecular Weight

624.09

AlogP

8.16

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

8.0

Polar Surface Area

36.92

Heavy Atoms

36.0

Resources	Reference
CAS NUMBER	429-67-4
NORMAN SUSDAT
FDA SRS	6UZH4CP48X
PubChem	67934

Resources

Reference

CAS NUMBER

429-67-4

NORMAN SUSDAT

FDA SRS

6UZH4CP48X

PubChem

67934

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

2,4,6,8-TETRAMETHYL-2,4,6,8-TETRAKIS(3,3,3-TRIFLUOROPROPYL)CYCLOTETRASILOXANE

Structure

Physicochemical Descriptors

Cross References