2-(Trifluoromethyl)benzamide

C₈H₆F₃NOCAS 360-64-5189.14 g/mol

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Properties

Molecular formula: C₈H₆F₃NO
Molar mass: 189.14 g/mol
Exact mass: 189.0401 Da
Melting point: 160–161 °C
logP: 2.59Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 1

Identifiers

CAS number

360-64-5

SMILES

N=C(O)c1ccccc1C(F)(F)F

InChIKey

QBAYIBZITZBSFO-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)

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

Names and synonyms

2 names

Benzamide, 2-(trifluoromethyl)-
o-Toluamide, α,α,α-trifluoro-

Work with 2-(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

2-(Trifluoromethyl)benzoic acid433-97-663 % similar 2,4-Bis(trifluoromethyl)benzamide53130-45-362 % similar 4-Trifluoromethylnicotinamide158062-71-660 % similar 4-Fluoro-2-(trifluoromethyl)benzamide207919-06-060 % similar Phthalamide88-96-059 % similar 2-Fluorobenzamide445-28-353 % similar 1-[2-(Trifluoromethyl)phenyl]ethanone17408-14-950 % similar 2-Bromobenzamide4001-73-450 % similar

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

Same formula

3-(Trifluoromethyl)benzamide1801-10-1 4-(Trifluoromethyl)benzamide1891-90-3 1-(4-Aminophenyl)-2,2,2-trifluoroethanone23516-79-2 2,2,2-Trifluoro-N-phenylacetamide404-24-0

Elsewhere

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