chempirical

2,2,2-Trifluoro-N-phenylacetamide

C8H6F3NOCAS 404-24-0189.14 g/mol

Open in Covalent MOL file
OHNFFF
Alkyl halide

Properties

Molecular formula
C8H6F3NO
Molar mass
189.14 g/mol
Exact mass
189.0401 Da
Melting point
87.64 °C (sublimes)
Boiling point
220–225 °C
logP
2.84Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
404-24-0
SMILES
OC(=Nc1ccccc1)C(F)(F)F
InChIKey
SAPQIENQEZURNZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-5H,(H,12,13)

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

Names and synonyms

7 names
  • Acetamide, 2,2,2-trifluoro-N-phenyl-
  • Acetanilide, 2,2,2-trifluoro-
  • α,α,α-Trifluoroacetanilide
  • 2,2,2-Trifluoroacetanilide
  • N-Phenyltrifluoroacetamide
  • N-Phenyl-2,2,2-trifluoroacetamide
  • NSC 9474

Reactions

Work with 2,2,2-Trifluoro-N-phenylacetamide

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Acetanilide103-84-443 % similar Phenylcarbylamine chloride622-44-641 % similar N-Methyltrifluoroacetamide815-06-541 % similar Fenuron101-42-839 % similar 1,3-Diphenylurea102-07-839 % similar Chloroacetanilide587-65-539 % similar 2,2,2-Trifluoro-N-(hydroxymethyl)acetamide50667-69-139 % similar N,N′,N′′-Triphenylguanidine101-01-938 % 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-(Trifluoromethyl)benzamide360-64-5

Elsewhere

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