chempirical

4-(Trifluoromethyl)benzamide

C8H6F3NOCAS 1891-90-3189.14 g/mol

Open in Covalent MOL file
H2NOFFF
Alkyl halideAmide

Properties

Molecular formula
C8H6F3NO
Molar mass
189.14 g/mol
Exact mass
189.0401 Da
Melting point
185 °C
logP
1.80Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
1891-90-3
SMILES
NC(=O)c1ccc(C(F)(F)F)cc1
InChIKey
WEJHBEDHLLBJFW-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F3NO/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)

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Names and synonyms

5 names
  • Benzamide, 4-(trifluoromethyl)-
  • p-Toluamide, α,α,α-trifluoro-
  • 4-Trifluoromethylbenzamide
  • p-(Trifluoromethyl)benzamide
  • NSC 160490

Work with 4-(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

Terephthalamide3010-82-064 % similar 4-(Trifluoromethyl)benzoyl fluoride368-94-561 % similar 4-(Trifluoromethyl)benzoyl chloride329-15-759 % similar 4-(Trifluoromethyl)benzoic acid455-24-359 % similar 4-(Trifluoromethyl)acetophenone709-63-759 % similar p-(Trifluoromethyl)benzoylhydrazine339-59-358 % similar 4′-Trifluoromethylbenzophenone728-86-957 % similar 4-Fluorobenzamide824-75-956 % similar

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

Same formula

3-(Trifluoromethyl)benzamide1801-10-1 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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