chempirical

2,2,3,3,4,4,4-Heptafluorobutanal

C4HF7OCAS 375-02-0198.04 g/mol

Open in Covalent MOL file
OFFFFFFF
AldehydeAlkyl halide

Properties

Molecular formula
C4HF7O
Molar mass
198.04 g/mol
Exact mass
197.9916 Da
Boiling point
28 °C (at 740 Torr)
logP
2.02Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
375-02-0
SMILES
O=CC(F)(F)C(F)(F)C(F)(F)F
InChIKey
IQJZGNJYXIIMGP-UHFFFAOYSA-N
InChI
InChI=1S/C4HF7O/c5-2(6,1-12)3(7,8)4(9,10)11/h1H

Weigh it out

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

Names and synonyms

5 names
  • Butanal, 2,2,3,3,4,4,4-heptafluoro-
  • Butyraldehyde, heptafluoro-
  • Butanal, heptafluoro-
  • Heptafluorobutyraldehyde
  • Perfluorobutyraldehyde

Work with 2,2,3,3,4,4,4-Heptafluorobutanal

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-Octadecafluoro-5-decene84551-43-948 % similar (Perfluorobutyl)ethylene19430-93-442 % similar Perfluorobutane355-25-942 % similar Octafluoropropane76-19-742 % similar Heptadecafluoro-1-decene21652-58-441 % similar (Perfluorohexyl)ethylene25291-17-241 % similar 1H,1H,2H-Perfluoro-1-dodecene30389-25-441 % similar Perfluorooctane307-34-640 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook