Chemical Components in the PDB

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QI8 : Summary

Code

QI8

One-letter code

X

Molecule name

2,3,5,6-tetrafluoro-N-hydroxybenzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 2,3,5,6-tetrafluoro-N-hydroxybenzamide
OpenEye OEToolkits 2.0.7 2,3,5,6-tetrakis(fluoranyl)-~{N}-oxidanyl-benzamide

Formula

C7 H3 F4 N O2

Formal charge

0

Molecular weight

209.098 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Fc1c(C(=O)NO)c(F)c(F)cc1F
SMILES CACTVS 3.385 ONC(=O)c1c(F)c(F)cc(F)c1F
SMILES OpenEye OEToolkits 2.0.7 c1c(c(c(c(c1F)F)C(=O)NO)F)F
Canonical SMILES CACTVS 3.385 ONC(=O)c1c(F)c(F)cc(F)c1F
Canonical SMILES OpenEye OEToolkits 2.0.7 c1c(c(c(c(c1F)F)C(=O)NO)F)F

IUPAC InChI

InChI=1S/C7H3F4NO2/c8-2-1-3(9)6(11)4(5(2)10)7(13)12-14/h1,14H,(H,12,13)

IUPAC InChI key

SOMUBBZQEJMTQV-UHFFFAOYSA-N
QI8

wwPDB Information

Atom count

17 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-06-10

Last modified at

2022-09-23

Status

Released

Obsoleted

Not Assigned