Chemical Components in the PDB

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ETF : Summary

Code

ETF

One-letter code

X

Molecule name

TRIFLUOROETHANOL

Systematic names

ProgramVersionName
ACDLabs 10.04 2,2,2-trifluoroethanol
OpenEye OEToolkits 1.5.0 2,2,2-trifluoroethanol

Formula

C2 H3 F3 O

Formal charge

0

Molecular weight

100.04 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 FC(F)(F)CO
SMILES CACTVS 3.341 OCC(F)(F)F
SMILES OpenEye OEToolkits 1.5.0 C(C(F)(F)F)O
Canonical SMILES CACTVS 3.341 OCC(F)(F)F
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(F)(F)F)O

IUPAC InChI

InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2

IUPAC InChI key

RHQDFWAXVIIEBN-UHFFFAOYSA-N
ETF

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

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned