EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7NDW4XJ5SK
EPA CompTox	DTXSID10189274

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7NDW4XJ5SK

EPA CompTox

DTXSID10189274


InChI Key	RLRUKKDFNWXXRT-UHFFFAOYSA-N
Smiles	O=C(Cl)C1=CC(F)=CC=C1F
InChI	InChI=1/C7H3ClF2O/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3H

InChI Key

RLRUKKDFNWXXRT-UHFFFAOYSA-N

Smiles

O=C(Cl)C1=CC(F)=CC=C1F

InChI

InChI=1/C7H3ClF2O/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3H

Property Name	Value
Molecular Formula	C7H3ClF2O
Molecular Weight	175.98
AlogP	2.34
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	17.07
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C7H3ClF2O

Molecular Weight

175.98

AlogP

2.34

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

17.07

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	35730-09-7
NORMAN SUSDAT
FDA SRS	7NDW4XJ5SK
PubChem	588082

Resources

Reference

CAS NUMBER

35730-09-7

NORMAN SUSDAT

FDA SRS

7NDW4XJ5SK

PubChem

588082

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

2,5-DIFLUOROBENZOYL CHLORIDE

Structure

Physicochemical Descriptors

Cross References