Chemical Components in the PDB

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8FH : Summary

Code

8FH

One-letter code

X

Molecule name

2,2,2-tris-chloroethanol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2,2,2-tris(chloranyl)ethanol

Formula

C2 H3 Cl3 O

Formal charge

0

Molecular weight

149.404 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OCC(Cl)(Cl)Cl
SMILES OpenEye OEToolkits 2.0.6 C(C(Cl)(Cl)Cl)O
Canonical SMILES CACTVS 3.385 OCC(Cl)(Cl)Cl
Canonical SMILES OpenEye OEToolkits 2.0.6 C(C(Cl)(Cl)Cl)O

IUPAC InChI

InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2

IUPAC InChI key

KPWDGTGXUYRARH-UHFFFAOYSA-N
8FH

wwPDB Information

Atom count

9 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-02-05

Last modified at

2018-05-25

Status

Released

Obsoleted

Not Assigned