N-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide

C8H7F3N2OCAS 22179-86-8204.15 g/mol

Open in Covalent MOL file
H2NNHOFFF
Alkyl halideAmidineOxime

Properties

Molecular formula
C8H7F3N2O
Molar mass
204.15 g/mol
Exact mass
204.0510 Da
Melting point
127–129 °C
logP
1.80Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
22179-86-8
SMILES
NC(=NO)c1ccc(C(F)(F)F)cc1
InChIKey
QCVFLUSIBKAKPC-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Benzenecarboximidamide, N-hydroxy-4-(trifluoromethyl)-
  • p-Toluamidoxime, α,α,α-trifluoro-
  • 4-Trifluoromethylbenzamidoxime
  • 4-(Trifluoromethyl)-N′-hydroxybenzenecarboximidamide
  • N′-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide
  • N-Hydroxy-4-(trifluoromethyl)benzamidine
  • N-Hydroxy-4-trifluoromethylbenzimidamide

Work with N-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Bis(trifluoromethyl)benzamidoxime72111-09-268 % similar 4-Fluorobenzamidoxime22179-78-861 % similar 4-(Trifluoromethoxy)benzamidoxime56935-71-860 % similar 4-Methylbenzamidoxime19227-13-556 % similar 4-Chlorobenzamidoxime5033-28-356 % similar 4-Bromo-N'-hydroxybenzenecarboximidamide69113-23-156 % similar N-Hydroxyisonicotinamidine1594-57-653 % similar 4-(Trifluoromethyl)benzamide1891-90-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethyl)benzoic acid hydrazide22227-25-4 p-(Trifluoromethyl)benzoylhydrazine339-59-3 2-(Trifluoromethyl)benzoic acid hydrazide344-95-6 3-(Trifluoromethyl)benzamidoxime40067-80-9

Elsewhere

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