Chemical Components in the PDB

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FLM : Summary

Code

FLM

One-letter code

X

Molecule name

3-FLUORO-2-METHYL-ANILINE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-fluoro-2-methylaniline
OpenEye OEToolkits 1.5.0 3-fluoro-2-methyl-aniline

Formula

C7 H8 F N

Formal charge

0

Molecular weight

125.144 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 Fc1cccc(N)c1C
SMILES CACTVS 3.341 Cc1c(N)cccc1F
SMILES OpenEye OEToolkits 1.5.0 Cc1c(cccc1F)N
Canonical SMILES CACTVS 3.341 Cc1c(N)cccc1F
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1c(cccc1F)N

IUPAC InChI

InChI=1S/C7H8FN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3

IUPAC InChI key

SLDLVGFPFFLYBM-UHFFFAOYSA-N
FLM

wwPDB Information

Atom count

17 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-03-27

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned