Chemical Components in the PDB

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W6X : Summary

Code

W6X

One-letter code

X

Molecule name

1,1,1-tris(fluoranyl)propan-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1,1,1-tris(fluoranyl)propan-2-one

Formula

C3 H3 F3 O

Formal charge

0

Molecular weight

112.051 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC(=O)C(F)(F)F
SMILES OpenEye OEToolkits 2.0.7 CC(=O)C(F)(F)F
Canonical SMILES CACTVS 3.385 CC(=O)C(F)(F)F
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)C(F)(F)F

IUPAC InChI

InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3

IUPAC InChI key

FHUDAMLDXFJHJE-UHFFFAOYSA-N
W6X

wwPDB Information

Atom count

10 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-06-06

Last modified at

2021-06-04

Status

Released

Obsoleted

Not Assigned