Chemical Components in the PDB

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FAH : Summary

Code

FAH

One-letter code

X

Molecule name

fluoroacetic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 fluoroacetic acid
OpenEye OEToolkits 1.7.0 2-fluoroethanoic acid

Formula

C2 H3 F O2

Formal charge

0

Molecular weight

78.042 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 FCC(=O)O
SMILES CACTVS 3.370 OC(=O)CF
SMILES OpenEye OEToolkits 1.7.0 C(C(=O)O)F
Canonical SMILES CACTVS 3.370 OC(=O)CF
Canonical SMILES OpenEye OEToolkits 1.7.0 C(C(=O)O)F

IUPAC InChI

InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)

IUPAC InChI key

QEWYKACRFQMRMB-UHFFFAOYSA-N
FAH

wwPDB Information

Atom count

8 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-03-17

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned