EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	LZU46L2CJ6
EPA CompTox	DTXSID90232217

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

LZU46L2CJ6

EPA CompTox

DTXSID90232217


InChI Key	UUHZXQCRVUYLII-UHFFFAOYSA-N
Smiles	O=C(Cl)CC=1C(F)=C(F)C(F)=C(F)C1F
InChI	InChI=1/C8H2ClF5O/c9-3(15)1-2-4(10)6(12)8(14)7(13)5(2)11/h1H2

InChI Key

UUHZXQCRVUYLII-UHFFFAOYSA-N

Smiles

O=C(Cl)CC=1C(F)=C(F)C(F)=C(F)C1F

InChI

InChI=1/C8H2ClF5O/c9-3(15)1-2-4(10)6(12)8(14)7(13)5(2)11/h1H2

Property Name	Value
Molecular Formula	C8H2ClF5O
Molecular Weight	243.97
AlogP	2.69
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	17.07
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C8H2ClF5O

Molecular Weight

243.97

AlogP

2.69

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

17.07

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	832-72-4
NORMAN SUSDAT
FDA SRS	LZU46L2CJ6
PubChem	70027

Resources

Reference

CAS NUMBER

832-72-4

NORMAN SUSDAT

FDA SRS

LZU46L2CJ6

PubChem

70027

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-PENTAFLUOROPHENYL)ACETYL CHLORIDE

Structure

Physicochemical Descriptors

Cross References