Chemical Components in the PDB

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F6F : Summary

Code

F6F

One-letter code

X

Molecule name

2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE

Synonyms

N-(4'-TRIFLUOROMETHOXYBENZOYL)-2-AMINO-1-ETHYLPHOSPHATE, F6

Systematic names

ProgramVersionName
ACDLabs 10.04 2-({[4-(trifluoromethoxy)phenyl]carbonyl}amino)ethyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0 2-[[4-(trifluoromethoxy)phenyl]carbonylamino]ethyl dihydrogen phosphate

Formula

C10 H11 F3 N O6 P

Formal charge

0

Molecular weight

329.166 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 FC(F)(F)Oc1ccc(cc1)C(=O)NCCOP(=O)(O)O
SMILES CACTVS 3.341 O[P](O)(=O)OCCNC(=O)c1ccc(OC(F)(F)F)cc1
SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F
Canonical SMILES CACTVS 3.341 O[P](O)(=O)OCCNC(=O)c1ccc(OC(F)(F)F)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F

IUPAC InChI

InChI=1S/C10H11F3NO6P/c11-10(12,13)20-8-3-1-7(2-4-8)9(15)14-5-6-19-21(16,17)18/h1-4H,5-6H2,(H,14,15)(H2,16,17,18)

IUPAC InChI key

YAHFSBJEYPSDPU-UHFFFAOYSA-N
F6F

wwPDB Information

Atom count

32 (21 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-08-04

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned