chempirical

Butanoyl fluoride

C4H7FOCAS 461-53-090.10 g/mol

Open in Covalent MOL file
OF
Acyl halide

Properties

Molecular formula
C4H7FO
Molar mass
90.10 g/mol
Exact mass
90.0481 Da
Density
0.944 g/mL (at 11 °C)
Boiling point
67 °C (at 767 Torr)
logP
1.28Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
461-53-0
SMILES
CCCC(=O)F
InChIKey
GSJWYIDMIRQHMV-UHFFFAOYSA-N
InChI
InChI=1S/C4H7FO/c1-2-3-4(5)6/h2-3H2,1H3

Weigh it out

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Names and synonyms

1 names
  • Butyryl fluoride

Work with Butanoyl fluoride

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

4-Heptanone123-19-348 % similar 2-Pentanone107-87-943 % similar Butyric anhydride106-31-042 % similar Butyric acid107-92-642 % similar Butyryl chloride141-75-342 % similar 3-Hexanone589-38-842 % similar 2,2-Dimethyl-3-hexanone5405-79-840 % similar S-Methyl butanethioate2432-51-138 % similar

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

Elsewhere

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