EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	QWY96YFJ3Y
EPA CompTox	DTXSID80228109

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

QWY96YFJ3Y

EPA CompTox

DTXSID80228109


InChI Key	LIERORLYMWHXDL-UHFFFAOYSA-N
Smiles	FC(F)(F)C=1C=CC=CC1CCN
InChI	InChI=1/C9H10F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5-6,13H2

InChI Key

LIERORLYMWHXDL-UHFFFAOYSA-N

Smiles

FC(F)(F)C=1C=CC=CC1CCN

InChI

InChI=1/C9H10F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5-6,13H2

Property Name	Value
Molecular Formula	C9H10F3N
Molecular Weight	189.08
AlogP	2.21
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	26.02
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H10F3N

Molecular Weight

189.08

AlogP

2.21

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

26.02

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	774-18-5
NORMAN SUSDAT
FDA SRS	QWY96YFJ3Y
PubChem	69883

Resources

Reference

CAS NUMBER

774-18-5

NORMAN SUSDAT

FDA SRS

QWY96YFJ3Y

PubChem

69883

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...

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Last update: Monday, 3 November 2025

O-(TRIFLUOROMETHYL)PHENETHYLAMINE

Structure

Physicochemical Descriptors

Cross References