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Summary

Name:(S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride
Synonyms:A-230 (Nerve agent)
Formula:C7 H16 F N2 O P
Formal charge:0
Molecular weight:194.187 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride
OpenEye OEToolkits2.0.7~{N},~{N}-diethyl-~{N}'-[fluoranyl(methyl)phosphoryl]ethanimidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCN(CC)C(\C)=N\P(C)(=O)F
InChIInChI1.03InChI=1S/C7H16FN2OP/c1-5-10(6-2)7(3)9-12(4,8)11/h5-6H2,1-4H3/b9-7+/t12-/m0/s1
InChIKeyInChI1.03OUJDIWHRYQBZSR-CRALRDPISA-N
SMILES_CANONICALCACTVS3.385CCN(CC)C(C)=N[P@](C)(F)=O
SMILESCACTVS3.385CCN(CC)C(C)=N[P](C)(F)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN(CC)/C(=N/[P@](=O)(C)F)/C
SMILESOpenEye OEToolkits2.0.7CCN(CC)C(=NP(=O)(C)F)C