chempirical

Heptafluorobutyryl chloride

C4ClF7OCAS 375-16-6232.48 g/mol

Open in Covalent MOL file
OClFFFFFFF
Acyl halideAlkyl halide

Properties

Molecular formula
C4ClF7O
Molar mass
232.48 g/mol
Exact mass
231.9526 Da
Density
1.55 g/mL (at 25 °C)
Melting point
59–61 °C
Boiling point
38.5 °C
logP
2.58Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
375-16-6
SMILES
O=C(Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
WFELVFKXQJYPSL-UHFFFAOYSA-N
InChI
InChI=1S/C4ClF7O/c5-1(13)2(6,7)3(8,9)4(10,11)12

Weigh it out

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

Names and synonyms

10 names
  • Butanoyl chloride, 2,2,3,3,4,4,4-heptafluoro-
  • Butyryl chloride, heptafluoro-
  • Butanoyl chloride, heptafluoro-
  • 2,2,3,3,4,4,4-Heptafluorobutanoyl chloride
  • Perfluorobutyryl chloride
  • Heptafluoro-n-butyryl chloride
  • Heptafluorobutanoyl chloride
  • Perfluorobutanoyl chloride
  • Heptafluorobutyric chloride
  • Perfluorobutanoic acid chloride

Work with Heptafluorobutyryl chloride

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

Perfluorooctanoyl chloride335-64-883 % similar 2,2,3,3,4,4-Hexafluoropentanedioyl dichloride678-77-377 % similar 2,2,3,3-Tetrafluorobutanedioyl dichloride356-15-064 % similar 2,2,3,3,4,4,5,5-Octafluoropentanoyl chloride376-71-657 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorononanoyl chloride423-95-053 % similar Heptafluorobutyric anhydride336-59-450 % similar 3,3,4,4,5,5,5-Heptafluoro-2-pentanone355-17-950 % similar Perfluorobutanoic acid375-22-450 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook