EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	GP666C9XPU
EPA CompTox	DTXSID20880942

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

GP666C9XPU

EPA CompTox

DTXSID20880942


InChI Key	ROKBKBIVJKPRAG-UHFFFAOYSA-N
Smiles	O1C(F)(C(C(F)(C1(F)C(F)(F)F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C10F20O/c11-2(7(19,20)21)1(6(16,17)18,3(12,13)8(22,23)24)4(14,9(25,26)27)31-5(2,15)10(28,29)30

InChI Key

ROKBKBIVJKPRAG-UHFFFAOYSA-N

Smiles

O1C(F)(C(C(F)(C1(F)C(F)(F)F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C10F20O/c11-2(7(19,20)21)1(6(16,17)18,3(12,13)8(22,23)24)4(14,9(25,26)27)31-5(2,15)10(28,29)30

Property Name	Value
Molecular Formula	C10F20O1
Molecular Weight	515.96
AlogP	6.49
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	9.23
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C10F20O1

Molecular Weight

515.96

AlogP

6.49

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

9.23

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	69661-30-9
NORMAN SUSDAT
FDA SRS	GP666C9XPU
PubChem	3017953
ChemSpider	2285580.0

Resources

Reference

CAS NUMBER

69661-30-9

NORMAN SUSDAT

FDA SRS

GP666C9XPU

PubChem

3017953

ChemSpider

2285580.0

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

2,3,5-TRIFLUOROTETRAHYDRO-4-(PENTAFLUOROETHYL)-2,3,4,5-TETRAKIS(TRIFLUOROMETHYL)FURAN

Structure

Physicochemical Descriptors

Cross References