EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	VO1XSY74EW
EPA CompTox	DTXSID20189402

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

VO1XSY74EW

EPA CompTox

DTXSID20189402


InChI Key	JIWHKBAFGFPZKM-UHFFFAOYSA-N
Smiles	FC(F)(F)C1=NC2=C(C=CC=C2C(F)(F)F)C(O)=C1
InChI	InChI=1/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19)

InChI Key

JIWHKBAFGFPZKM-UHFFFAOYSA-N

Smiles

FC(F)(F)C1=NC2=C(C=CC=C2C(F)(F)F)C(O)=C1

InChI

InChI=1/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19)

Property Name	Value
Molecular Formula	C11H5F6NO
Molecular Weight	281.03
AlogP	3.98
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	33.12
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C11H5F6NO

Molecular Weight

281.03

AlogP

3.98

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

33.12

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	35853-41-9
NORMAN SUSDAT
FDA SRS	VO1XSY74EW
PubChem	736140

Resources

Reference

CAS NUMBER

35853-41-9

NORMAN SUSDAT

FDA SRS

VO1XSY74EW

PubChem

736140

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

2,8-BIS(TRIFLUOROMETHYL)QUINOLIN-4-OL

Structure

Physicochemical Descriptors

Cross References