EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	F5FHU5LQG6
EPA CompTox	DTXSID4067513

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

F5FHU5LQG6

EPA CompTox

DTXSID4067513


InChI Key	AQDHOJSLSYFQND-UHFFFAOYSA-N
Smiles	FC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(I)F
InChI	InChI=1S/C20F41I/c21-1(22,3(25,26)5(29,30)7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)59)2(23,24)4(27,28)6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(60,61)62

InChI Key

AQDHOJSLSYFQND-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1S/C20F41I/c21-1(22,3(25,26)5(29,30)7(33,34)9(37,38)11(41,42)13(45,46)15(49,50)17(53,54)19(57,58)59)2(23,24)4(27,28)6(31,32)8(35,36)10(39,40)12(43,44)14(47,48)16(51,52)18(55,56)20(60,61)62

Property Name	Value
Molecular Formula	C20F41I1
Molecular Weight	1145.84
AlogP	14.01
Number of Rotational Bond	18.0
Heavy Atoms	62.0

Property Name

Value

Molecular Formula

C20F41I1

Molecular Weight

1145.84

AlogP

14.01

Number of Rotational Bond

18.0

Heavy Atoms

62.0

Resources	Reference
CAS NUMBER	29809-34-5
NORMAN SUSDAT
FDA SRS	F5FHU5LQG6
PubChem	169090
ChemSpider	147889.0

Resources

Reference

CAS NUMBER

29809-34-5

NORMAN SUSDAT

FDA SRS

F5FHU5LQG6

PubChem

169090

ChemSpider

147889.0

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

PERFLUOROEICOSYL IODIDE

Structure

Physicochemical Descriptors

Cross References