chempirical

3-(Trifluoromethyl)benzoic acid hydrazide

C8H7F3N2OCAS 22227-25-4204.15 g/mol

Open in Covalent MOL file
FFFOHNNH2
Alkyl halideAmidePrimary amine

Properties

Molecular formula
C8H7F3N2O
Molar mass
204.15 g/mol
Exact mass
204.0510 Da
logP
1.31Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
22227-25-4
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(=O)NN
InChIKey
HGUSYNBASYGAMC-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-2-5(4-6)7(14)13-12/h1-4H,12H2,(H,13,14)

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Work with 3-(Trifluoromethyl)benzoic acid hydrazide

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-(Trifluoromethyl)benzoyl fluoride328-99-457 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-255 % similar 3′-(Trifluoromethyl)acetophenone349-76-855 % similar 3-(Trifluoromethyl)benzoic acid454-92-255 % similar 3-(Trifluoromethyl)benzophenone728-81-455 % similar 2-Bromo-1-[3-(trifluoromethyl)phenyl]ethanone2003-10-351 % similar Sodium 3-trifluoromethylbenzoate69226-41-151 % similar 2-(Methylsulfonyl)-1-(3-(trifluoromethyl)phenyl)ethanone128306-96-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Hydroxy-4-(trifluoromethyl)benzenecarboximidamide22179-86-8 p-(Trifluoromethyl)benzoylhydrazine339-59-3

Elsewhere

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