EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SLC3DDD5GG
EPA CompTox	DTXSID10215507

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SLC3DDD5GG

EPA CompTox

DTXSID10215507


InChI Key	WPWWHXPRJFDTTJ-UHFFFAOYSA-N
Smiles	O=C(N)C=1C(F)=C(F)C(F)=C(F)C1F
InChI	InChI=1/C7H2F5NO/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H2,13,14)

InChI Key

WPWWHXPRJFDTTJ-UHFFFAOYSA-N

Smiles

O=C(N)C=1C(F)=C(F)C(F)=C(F)C1F

InChI

InChI=1/C7H2F5NO/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H2,13,14)

Property Name	Value
Molecular Formula	C7H2F5NO
Molecular Weight	211.01
AlogP	2.27
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	44.08
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C7H2F5NO

Molecular Weight

211.01

AlogP

2.27

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

44.08

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	652-31-3
NORMAN SUSDAT
FDA SRS	SLC3DDD5GG
PubChem	69547

Resources

Reference

CAS NUMBER

652-31-3

NORMAN SUSDAT

FDA SRS

SLC3DDD5GG

PubChem

69547

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

2,3,4,5,6-PENTAFLUOROBENZAMIDE

Structure

Physicochemical Descriptors

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