2-(Trifluoromethyl)benzamide

C8H6F3NOCAS 360-64-5189.14 g/mol

Open in Covalent MOL file
NH2OFFF
Alkyl halide

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 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
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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Names and synonyms

3 names
  • Benzamide, 2-(trifluoromethyl)-
  • o-Toluamide, α,α,α-trifluoro-
  • 2-Trifluoromethylbenzamide

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 2'-(Trifluoromethyl)acetophenone17408-14-950 % similar 2-Bromobenzamide4001-73-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

m-(Trifluoromethyl)benzamide1801-10-1 4-(Trifluoromethyl)benzamide1891-90-3 1-(4-Aminophenyl)-2,2,2-trifluoroethanone23516-79-2 1-[6-(Trifluoromethyl)pyridin-3-yl]ethanone358780-14-0 3-(Trifluoromethyl)benzaldoxime368-83-2 2,2,2-Trifluoro-N-phenylacetamide404-24-0

Elsewhere

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