EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	GU7ZW735ZQ
EPA CompTox	DTXSID00189465

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

GU7ZW735ZQ

EPA CompTox

DTXSID00189465


InChI Key	KCOKATNPCXDTEB-UHFFFAOYSA-N
Smiles	FC1(N(C(C(F)(F)C(C1(F)F)(F)F)(F)F)C(F)(F)F)F
InChI	InChI=1S/C6F13N/c7-1(8)2(9,10)4(13,14)20(6(17,18)19)5(15,16)3(1,11)12

InChI Key

KCOKATNPCXDTEB-UHFFFAOYSA-N

Smiles

FC1(N(C(C(F)(F)C(C1(F)F)(F)F)(F)F)C(F)(F)F)F

InChI

InChI=1S/C6F13N/c7-1(8)2(9,10)4(13,14)20(6(17,18)19)5(15,16)3(1,11)12

Property Name	Value
Molecular Formula	C6F13N1
Molecular Weight	332.98
AlogP	3.91
Hydrogen Bond Acceptor	1.0
Polar Surface Area	3.24
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C6F13N1

Molecular Weight

332.98

AlogP

3.91

Hydrogen Bond Acceptor

1.0

Polar Surface Area

3.24

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	359-71-7
NORMAN SUSDAT
FDA SRS	GU7ZW735ZQ
PubChem	2776242
ChemSpider	2056563.0

Resources

Reference

CAS NUMBER

359-71-7

NORMAN SUSDAT

FDA SRS

GU7ZW735ZQ

PubChem

2776242

ChemSpider

2056563.0

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

2,2,3,3,4,4,5,5,6,6-DECAFLUORO-1-(TRIFLUOROMETHYL)PIPERIDINE

Structure

Physicochemical Descriptors

Cross References