chempirical

Butyl 2,2,3,3,4,4,4-heptafluorobutanoate

C8H9F7O2CAS 1559-07-5270.15 g/mol

Open in Covalent MOL file
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Alkyl halideEster

Properties

Molecular formula
C8H9F7O2
Molar mass
270.15 g/mol
Exact mass
270.0491 Da
logP
3.16Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
1559-07-5
SMILES
CCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIKey
YDXXJZKOOOJVEE-UHFFFAOYSA-N
InChI
InChI=1S/C8H9F7O2/c1-2-3-4-17-5(16)6(9,10)7(11,12)8(13,14)15/h2-4H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Butanoic acid, 2,2,3,3,4,4,4-heptafluoro-, butyl ester
  • Butyric acid, heptafluoro-, butyl ester
  • Butanoic acid, heptafluoro-, butyl ester
  • Butyl heptafluorobutyrate
  • Butyl perfluorobutyrate
  • Butyl perfluorobutanoate

Work with Butyl 2,2,3,3,4,4,4-heptafluorobutanoate

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

Ethyl 2,2,3,3,4,4,4-heptafluorobutanoate356-27-466 % similar Butyl 2,2,2-trifluoroacetate367-64-660 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate30377-52-758 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate3108-24-558 % similar Ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate41430-70-058 % similar Heptafluorobutyric anhydride336-59-453 % similar Methyl 2,2,3,3,4,4,4-heptafluorobutanoate356-24-153 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-853 % similar

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

Elsewhere

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