EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form

Keyword(s):

Human Metabolites

Molecule Category

Free-form


InChI Key	DFKYJTGKLKVXAB-UHFFFAOYSA-N
Smiles	C(C=O)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
InChI	InChI=1S/C12H3F21O/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h2H,1H2

InChI Key

DFKYJTGKLKVXAB-UHFFFAOYSA-N

Smiles

C(C=O)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

InChI

InChI=1S/C12H3F21O/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h2H,1H2

Property Name	Value
Molecular Formula	C12H3F21O1
Molecular Weight	561.98
AlogP	6.86
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	17.07
Heavy Atoms	34.0

Property Name

Value

Molecular Formula

C12H3F21O1

Molecular Weight

561.98

AlogP

6.86

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

10.0

Polar Surface Area

17.07

Heavy Atoms

34.0

Resources	Reference
CAS NUMBER	864551-38-2
NORMAN SUSDAT
PubChem	20111611
ChemSpider	16787170.0

Resources

Reference

CAS NUMBER

864551-38-2

NORMAN SUSDAT

PubChem

20111611

ChemSpider

16787170.0

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

10:2 FLUOROTELOMER ALDEHYDE

Structure

Physicochemical Descriptors

Cross References