chempirical

2-Chloro-1,1,1,4,4,4-hexafluoro-2-butene

C4HClF6CAS 400-44-2198.49 g/mol

Open in Covalent MOL file
FFFClFFF
AlkeneAlkyl halideVinyl halide

Properties

Molecular formula
C4HClF6
Molar mass
198.49 g/mol
Exact mass
197.9671 Da
Density
1.487 g/mL (at 17 °C)
Boiling point
33.5 °C
logP
3.23Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
400-44-2
SMILES
FC(F)(F)C=C(Cl)C(F)(F)F
InChIKey
JRENXZBKMHPULY-UHFFFAOYSA-N
InChI
InChI=1S/C4HClF6/c5-2(4(9,10)11)1-3(6,7)8/h1H

Weigh it out

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

Names and synonyms

7 names
  • 2-Butene, 2-chloro-1,1,1,4,4,4-hexafluoro-
  • CFC 1326
  • HCFO 1326mxz
  • HCFO-1326
  • FC-1326mxz
  • R 1326Mxz
  • 1,1,1,4,4,4-Hexafluoro-2-chlorobutene

Work with 2-Chloro-1,1,1,4,4,4-hexafluoro-2-butene

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

2,3-Dichloro-1,1,1,4,4,4-hexafluoro-2-butene303-04-836 % similar 1233Xf2730-62-332 % similar Trifluoroacetyl chloride354-32-532 % similar 1-Bromo-3,3,3-trifluoro-2-(trifluoromethyl)-1-propene382-15-032 % similar 1,1,2-Trichloro-3,3,3-trifluoro-1-propene431-52-732 % similar 2-Chloro-1,1,3,3,3-pentafluoropropene2804-50-431 % similar Rel-(1R,3R)-3-(2-chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylic acid72748-35-731 % similar

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

Elsewhere

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