EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID00380798

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID00380798


InChI Key	BFMDZOWJRVLYPB-UHFFFAOYSA-N
Smiles	OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)CO
InChI	InChI=1S/C8H6F12O5/c9-3(10,1-21)23-5(13,14)7(17,18)25-8(19,20)6(15,16)24-4(11,12)2-22/h21-22H,1-2H2

InChI Key

BFMDZOWJRVLYPB-UHFFFAOYSA-N

Smiles

OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)CO

InChI

InChI=1S/C8H6F12O5/c9-3(10,1-21)23-5(13,14)7(17,18)25-8(19,20)6(15,16)24-4(11,12)2-22/h21-22H,1-2H2

Property Name	Value
Molecular Formula	C8H6F12O5
Molecular Weight	410.0
AlogP	2.58
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	68.15
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C8H6F12O5

Molecular Weight

410.0

AlogP

2.58

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

10.0

Polar Surface Area

68.15

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	330562-44-2
NORMAN SUSDAT
PubChem	2778166
ChemSpider	2058425.0

Resources

Reference

CAS NUMBER

330562-44-2

NORMAN SUSDAT

PubChem

2778166

ChemSpider

2058425.0

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

1H,1H,11H,11H-PERFLUOROTETRAETHYLENE GLYCOL

Structure

Physicochemical Descriptors

Cross References