2,4-Bis(trifluoromethyl)benzamide

C₉H₅F₆NOCAS 53130-45-3257.14 g/mol

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Properties

Molecular formula: C₉H₅F₆NO
Molar mass: 257.14 g/mol
Exact mass: 257.0275 Da
logP: 3.61Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Identifiers

CAS number

53130-45-3

SMILES

N=C(O)c1ccc(C(F)(F)F)cc1C(F)(F)F

InChIKey

UFXIIQGMMJQZPG-UHFFFAOYSA-N

InChI

InChI=1S/C9H5F6NO/c10-8(11,12)4-1-2-5(7(16)17)6(3-4)9(13,14)15/h1-3H,(H2,16,17)

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

Names and synonyms

1 names

Benzamide, 2,4-bis(trifluoromethyl)-

Work with 2,4-Bis(trifluoromethyl)benzamide

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

4-Fluoro-2-(trifluoromethyl)benzamide207919-06-069 % similar 2-(Trifluoromethyl)benzamide360-64-562 % similar 3-(Trifluoromethyl)benzamide1801-10-154 % similar 2,5-Bis(trifluoromethyl)benzoic acid42580-42-753 % similar 4-Trifluoromethylnicotinamide158062-71-651 % similar 2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-848 % similar 2-Hydroxy-4-(trifluoromethyl)benzoic acid328-90-548 % similar 2-Amino-4-(trifluoromethyl)benzoic acid402-13-148 % similar

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

Same formula

3,5-Bis(trifluoromethyl)benzamide22227-26-5

Elsewhere

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