EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4818HEA280
EPA CompTox	DTXSID70184725

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4818HEA280

EPA CompTox

DTXSID70184725


InChI Key	JCAULFRGWRHHIG-UHFFFAOYSA-N
Smiles	FC(C(C(C(C(C(F)(F)Br)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F
InChI	InChI=1S/C10BrF21/c11-9(28,29)7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32

InChI Key

JCAULFRGWRHHIG-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1S/C10BrF21/c11-9(28,29)7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32

Property Name	Value
Molecular Formula	C10Br1F21
Molecular Weight	597.88
AlogP	7.62
Number of Rotational Bond	8.0
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C10Br1F21

Molecular Weight

597.88

AlogP

7.62

Number of Rotational Bond

8.0

Heavy Atoms

32.0

Resources	Reference
CAS NUMBER	307-43-7
NORMAN SUSDAT
FDA SRS	4818HEA280
PubChem	9389
ChemSpider	9020.0

Resources

Reference

CAS NUMBER

307-43-7

NORMAN SUSDAT

FDA SRS

4818HEA280

PubChem

9389

ChemSpider

9020.0

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

PERFLUBRODEC

Structure

Physicochemical Descriptors

Cross References