chempirical

Trifluoroacetonitrile

C2F3NCAS 353-85-595.02 g/mol

Open in Covalent MOL file
NFFF
Alkyl halideNitrile

Properties

Molecular formula
C2F3N
Molar mass
95.02 g/mol
Exact mass
94.9983 Da
Melting point
303 °C (decomposes)
Boiling point
−68.8 °C
logP
1.07Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
353-85-5
SMILES
N#CC(F)(F)F
InChIKey
SFFUEHODRAXXIA-UHFFFAOYSA-N
InChI
InChI=1S/C2F3N/c3-2(4,5)1-6

Weigh it out

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

Names and synonyms

7 names
  • Acetonitrile, 2,2,2-trifluoro-
  • Acetonitrile, trifluoro-
  • 2,2,2-Trifluoroacetonitrile
  • Cyanotrifluoromethane
  • Perfluoroacetonitrile
  • Trifluoromethyl cyanide
  • Trifluoromethylcarbonitrile

Work with Trifluoroacetonitrile

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

2,2,3,3,4,4,5,5-Octafluorohexanedinitrile376-53-442 % similar Hexafluoro-2-butyne692-50-240 % similar 2,2,3,3,4,4,4-Heptafluorobutanenitrile375-00-836 % similar 2,2-Dichloropropanedinitrile13063-43-933 % similar Trichloroacetonitrile545-06-233 % similar Pivalonitrile630-18-233 % similar 3,3,3-Trifluoropropyne661-54-133 % similar 2,2,2-Trifluoroethan-1,1-D2-ol-D77253-67-933 % similar

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

Elsewhere

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