chempirical

3-(Trifluoromethyl)benzamide

C8H6F3NOCAS 1801-10-1189.14 g/mol

Open in Covalent MOL file
H2NOFFF
Alkyl halide

Properties

Molecular formula
C8H6F3NO
Molar mass
189.14 g/mol
Exact mass
189.0401 Da
Melting point
121.5–122 °C
logP
2.59Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Identifiers

CAS number
1801-10-1
SMILES
N=C(O)c1cccc(C(F)(F)F)c1
InChIKey
XBGXGCOLWCMVOI-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13)

Weigh it out

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

Names and synonyms

4 names
  • Benzamide, 3-(trifluoromethyl)-
  • m-Toluamide, α,α,α-trifluoro-
  • α,α,α-Trifluoro-m-toluamide
  • m-Trifluoromethylbenzamide

Work with 3-(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

3,5-Bis(trifluoromethyl)benzamide22227-26-568 % similar 1,3-Benzenedicarboxamide1740-57-462 % similar 3-(Trifluoromethyl)benzoic acid454-92-260 % similar 3-Fluorobenzamide455-37-858 % similar 2,4-Bis(trifluoromethyl)benzamide53130-45-354 % similar 3-Bromobenzamide22726-00-753 % similar 3-Chlorobenzamide618-48-453 % similar 3-(Trifluoromethyl)benzoyl fluoride328-99-453 % similar

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

Same formula

4-(Trifluoromethyl)benzamide1891-90-3 1-(4-Aminophenyl)-2,2,2-trifluoroethanone23516-79-2 2-(Trifluoromethyl)benzamide360-64-5 2,2,2-Trifluoro-N-phenylacetamide404-24-0

Elsewhere

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