chempirical

3,3,3-Trifluoropropyne

C3HF3CAS 661-54-194.04 g/mol

Open in Covalent MOL file
FFF
Alkyl halideAlkyne

Properties

Molecular formula
C3HF3
Molar mass
94.04 g/mol
Exact mass
94.0030 Da
Boiling point
−48 °C
logP
1.18Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
661-54-1
SMILES
C#CC(F)(F)F
InChIKey
PRDFNJUWGIQQBW-UHFFFAOYSA-N
InChI
InChI=1S/C3HF3/c1-2-3(4,5)6/h1H

Weigh it out

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

Names and synonyms

8 names
  • 1-Propyne, 3,3,3-trifluoro-
  • Propyne, 3,3,3-trifluoro-
  • 3,3,3-Trifluoro-1-propyne
  • (Trifluoromethyl)acetylene
  • 1,1,1-Trifluoropropyne
  • 1,1,1-Trifluoro-2-propyne
  • Trifluoromethylethyne
  • TFP

Work with 3,3,3-Trifluoropropyne

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

Hexafluoro-2-butyne692-50-240 % similar Trifluoroacetonitrile353-85-533 % similar 2,2,2-Trifluoroethan-1,1-D2-ol-D77253-67-933 % similar 3,3-Dimethyl-1-butyne917-92-033 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook