EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	RP9B5YHT9M
EPA CompTox	DTXSID70178467

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

RP9B5YHT9M

EPA CompTox

DTXSID70178467


InChI Key	LINGICLAECZKAW-UHFFFAOYSA-N
Smiles	FC(F)(F)C1=CC=CC2=C(Cl)C=CN=C21
InChI	InChI=1/C10H5ClF3N/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H

InChI Key

LINGICLAECZKAW-UHFFFAOYSA-N

Smiles

FC(F)(F)C1=CC=CC2=C(Cl)C=CN=C21

InChI

InChI=1/C10H5ClF3N/c11-8-4-5-15-9-6(8)2-1-3-7(9)10(12,13)14/h1-5H

Property Name	Value
Molecular Formula	C10H5ClF3N
Molecular Weight	231.01
AlogP	3.91
Hydrogen Bond Acceptor	1.0
Polar Surface Area	12.89
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H5ClF3N

Molecular Weight

231.01

AlogP

3.91

Hydrogen Bond Acceptor

1.0

Polar Surface Area

12.89

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	23779-97-7
NORMAN SUSDAT
FDA SRS	RP9B5YHT9M
PubChem	90262

Resources

Reference

CAS NUMBER

23779-97-7

NORMAN SUSDAT

FDA SRS

RP9B5YHT9M

PubChem

90262

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

4-CHLORO-8-(TRIFLUOROMETHYL)QUINOLINE

Structure

Physicochemical Descriptors

Cross References