EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID30880514

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID30880514


InChI Key	ODICQQXTKDJYND-UHFFFAOYSA-N
Smiles	FC(F)=C(F)OC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F
InChI	InChI=1S/C8F14O3/c9-1(10)2(11)23-8(22)4(13,6(17,18)19)24-7(20,21)3(12,25-8)5(14,15)16

InChI Key

ODICQQXTKDJYND-UHFFFAOYSA-N

Smiles

FC(F)=C(F)OC1(F)OC(F)(C(F)(F)F)C(F)(F)OC1(F)C(F)(F)F

InChI

InChI=1S/C8F14O3/c9-1(10)2(11)23-8(22)4(13,6(17,18)19)24-7(20,21)3(12,25-8)5(14,15)16

Property Name	Value
Molecular Formula	C8F14O3
Molecular Weight	409.96
AlogP	4.76
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	27.69
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C8F14O3

Molecular Weight

409.96

AlogP

4.76

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

27.69

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	61097-79-8
NORMAN SUSDAT
PubChem	6454117
ChemSpider	4956453.0

Resources

Reference

CAS NUMBER

61097-79-8

NORMAN SUSDAT

PubChem

6454117

ChemSpider

4956453.0

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

2,2,3,5,6-PENTAFLUORO-3,6-BIS(TRIFLUOROMETHYL)-5-((TRIFLUOROVINYL)OXY)-1,4-DIOXANE

Structure

Physicochemical Descriptors

Cross References