EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	M7RR804S1G
EPA CompTox	DTXSID50198289

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

M7RR804S1G

EPA CompTox

DTXSID50198289


InChI Key	GEXSLRJJTOFEMA-UHFFFAOYSA-N
Smiles	FC(F)(F)C(F)(F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C9F20/c10-1(4(13,14)9(27,28)29,2(11,5(15,16)17)6(18,19)20)3(12,7(21,22)23)8(24,25)26

InChI Key

GEXSLRJJTOFEMA-UHFFFAOYSA-N

Smiles

FC(F)(F)C(F)(F)C(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C9F20/c10-1(4(13,14)9(27,28)29,2(11,5(15,16)17)6(18,19)20)3(12,7(21,22)23)8(24,25)26

Property Name	Value
Molecular Formula	C9F20
Molecular Weight	487.97
AlogP	6.56
Number of Rotational Bond	3.0
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C9F20

Molecular Weight

487.97

AlogP

6.56

Number of Rotational Bond

3.0

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	50285-18-2
NORMAN SUSDAT
FDA SRS	M7RR804S1G
PubChem	3016513
ChemSpider	2284448.0

Resources

Reference

CAS NUMBER

50285-18-2

NORMAN SUSDAT

FDA SRS

M7RR804S1G

PubChem

3016513

ChemSpider

2284448.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

PERFLUORO DIMETHYLETHYLPENTANE

Structure

Physicochemical Descriptors

Cross References