Trifluoroacetamide
Properties
- Molecular formula
- C2H2F3NO
- Molar mass
- 113.04 g/mol
- Exact mass
- 113.0088 Da
- Melting point
- 72.5 °C
- Boiling point
- 162.5 °C
- logP
- 1.08Crippen estimate
- Polar surface area
- 44.1 Ų
- H-bond donors / acceptors
- 2 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed27.8% of notifiers
- H315 Causes skin irritation98.7% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.4% of notifiers
Aggregated from 151 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
354-38-1SMILES
N=C(O)C(F)(F)FInChIKey
NRKYWOKHZRQRJR-UHFFFAOYSA-NInChI
InChI=1S/C2H2F3NO/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
3 names
- Acetamide, 2,2,2-trifluoro-
- 2,2,2-Trifluoroacetamide
- NSC 9449
Work with Trifluoroacetamide
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
2,2,3,3-Tetrafluorobutanediamide377-37-758 % similar
Chlorodifluoroacetamide354-28-950 % similar
2,2,3,3,3-Pentafluoropropanamide354-76-750 % similar
Heptafluorobutyramide662-50-044 % similar
Trichloroacetamide594-65-043 % similar
Dibromomalonamide73003-80-243 % similar
Pivalamide754-10-943 % similar
Hexafluoroacetone imine1645-75-642 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.