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

Hazards

Danger
Compressed Gas (GHS04)Acute Toxic (GHS06)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P271, P284, P304+P340, P316, P320, P403+P233, P405, P410+P403, P501

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 Oxiranetetracarbonitrile3189-43-333 % similar 3,3,3-Trifluoro-2-hydroxy-2-methylpropanenitrile335-08-033 % similar Trichloroacetonitrile545-06-233 % similar Pivalonitrile630-18-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia