chempirical

2,2,3,3,4,4,4-Heptafluorobutyl 2-propenoate

C7H5F7O2CAS 424-64-6254.10 g/mol

Open in Covalent MOL file
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AlkeneAlkyl halideEster

Properties

Molecular formula
C7H5F7O2
Molar mass
254.10 g/mol
Exact mass
254.0178 Da
Density
1.455 g/mL (at 20 °C)
Boiling point
43 °C (at 40 Torr)
logP
2.55Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
424-64-6
SMILES
C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)F
InChIKey
PLXOUIVCSUBZIX-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F7O2/c1-2-4(15)16-3-5(8,9)6(10,11)7(12,13)14/h2H,1,3H2

Weigh it out

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

Names and synonyms

11 names
  • 2-Propenoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
  • Acrylic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
  • 1-Butanol, 2,2,3,3,4,4,4-heptafluoro-, acrylate
  • 1,1-Dihydroheptafluorobutyl acrylate
  • 1,1-Dihydroperfluorobutyl acrylate
  • 1H,1H-Heptafluorobutyl acrylate
  • BF 1 (ester)
  • α,α-Dihydroperfluorobutyl acrylate
  • BF 1
  • 2,2,3,3,4,4,4-Heptafluorobutyl acrylate
  • 2,2,3,3,4,4,4-Heptafluorobutyl prop-2-enoate

Work with 2,2,3,3,4,4,4-Heptafluorobutyl 2-propenoate

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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 2-propenoate307-98-288 % similar 2,2,3,3,3-Pentafluoropropyl 2-propenoate356-86-577 % similar 1H,1H,5H-Octafluoropentyl acrylate376-84-168 % similar 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2-propenoate52591-27-265 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate2993-85-364 % similar 1H,1H,9H-Hexadecafluorononyl acrylate4180-26-164 % similar 1H,1H,11H-Eicosafluoroundecyl acrylate4998-38-364 % similar Perfluorohexylethyl acrylate17527-29-663 % similar

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

Elsewhere

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