chempirical

Trichloroacetamide

C2H2Cl3NOCAS 594-65-0162.39 g/mol

Open in Covalent MOL file
NH2OClClCl
Alkyl halide

Properties

Molecular formula
C2H2Cl3NO
Molar mass
162.39 g/mol
Exact mass
160.9202 Da
Melting point
142 °C
Boiling point
240 °C
logP
1.89Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Identifiers

CAS number
594-65-0
SMILES
N=C(O)C(Cl)(Cl)Cl
InChIKey
UPQQXPKAYZYUKO-UHFFFAOYSA-N
InChI
InChI=1S/C2H2Cl3NO/c3-2(4,5)1(6)7/h(H2,6,7)

Weigh it out

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

Names and synonyms

5 names
  • Acetamide, 2,2,2-trichloro-
  • 2,2,2-Trichloroacetamide
  • α,α,α-Trichloroacetamide
  • NSC 16599
  • Trichloroacetamidate

Work with Trichloroacetamide

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

Chlorodifluoroacetamide354-28-950 % similar Trifluoroacetamide354-38-143 % similar 2,2,3,3-Tetrafluorobutanediamide377-37-743 % similar 2,2-Dibromomalonamide73003-80-243 % similar Pivalamide754-10-943 % similar 2-Hydroxy-2-methylpropanamide13027-88-839 % similar 2,2,3,3,3-Pentafluoropropanamide354-76-738 % similar Trichloroacetic acid76-03-936 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook