chempirical

N-Methyltrifluoroacetamide

C3H4F3NOCAS 815-06-5127.07 g/mol

Open in Covalent MOL file
NHOFFF
Alkyl halide

Properties

Molecular formula
C3H4F3NO
Molar mass
127.07 g/mol
Exact mass
127.0245 Da
Melting point
50–51 °C
Boiling point
156–157 °C
logP
1.14Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
815-06-5
SMILES
CN=C(O)C(F)(F)F
InChIKey
IQNHBUQSOSYAJU-UHFFFAOYSA-N
InChI
InChI=1S/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8)

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

Names and synonyms

2 names
  • Acetamide, 2,2,2-trifluoro-N-methyl-
  • 2,2,2-Trifluoro-N-methylacetamide

Work with N-Methyltrifluoroacetamide

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

N,2,2-Trimethylpropanamide6830-83-752 % similar 2,2,2-Trifluoro-N-(hydroxymethyl)acetamide50667-69-146 % similar Bis(trifluoroacetyl)imide407-24-944 % similar N,2,3-Trimethyl-2-isopropylbutanamide51115-67-443 % similar 2,2,2-Trifluoro-N-phenylacetamide404-24-041 % similar (2,2,2-Trifluoroacetyl)azanyl 2,2,2-trifluoroacetate684-78-640 % similar N-Methylacetamide79-16-333 % similar 4,4,4-Trifluoro-3-methyl-2-butenoic acid69056-67-332 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook