EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	CS5FZ88MUJ
EPA CompTox	DTXSID50208115

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

CS5FZ88MUJ

EPA CompTox

DTXSID50208115


InChI Key	JFZHVQYMBLLLMZ-UHFFFAOYSA-N
Smiles	O=C(C=1C=CC=CC1)C2=CC(=CC=C2F)C
InChI	InChI=1/C14H11FO/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9H,1H3

InChI Key

JFZHVQYMBLLLMZ-UHFFFAOYSA-N

Smiles

O=C(C=1C=CC=CC1)C2=CC(=CC=C2F)C

InChI

InChI=1/C14H11FO/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9H,1H3

Property Name	Value
Molecular Formula	C14H11FO
Molecular Weight	214.08
AlogP	3.37
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	17.07
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C14H11FO

Molecular Weight

214.08

AlogP

3.37

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

17.07

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	59396-51-9
NORMAN SUSDAT
FDA SRS	CS5FZ88MUJ
PubChem	101037

Resources

Reference

CAS NUMBER

59396-51-9

NORMAN SUSDAT

FDA SRS

CS5FZ88MUJ

PubChem

101037

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

(2-FLUORO-5-METHYLPHENYL) PHENYL KETONE

Structure

Physicochemical Descriptors

Cross References