FBF

4-(trifluoromethyl)benzenecarboximidamide

Created:2010-10-26
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count0
Bond Count20
Aromatic Bond Count6
2D diagram of FBF

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Chemical Component Summary

Name4-(trifluoromethyl)benzenecarboximidamide
Systematic Name (OpenEye OEToolkits)4-(trifluoromethyl)benzenecarboximidamide
FormulaC8 H7 F3 N2
Molecular Weight188.15
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1ccc(C(=[N@H])N)cc1
SMILESCACTVS3.370NC(=N)c1ccc(cc1)C(F)(F)F
SMILESOpenEye OEToolkits1.7.0c1cc(ccc1C(=N)N)C(F)(F)F
Canonical SMILESCACTVS3.370 NC(=N)c1ccc(cc1)C(F)(F)F
Canonical SMILESOpenEye OEToolkits1.7.0 [H]/N=C(/c1ccc(cc1)C(F)(F)F)\N
InChIInChI1.03 InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)
InChIKeyInChI1.03 XFLGYXVBXUAGQV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2777390
ChEMBL CHEMBL1921972