Ethylferrocene

C₁₂H₁₄FeCAS 1273-89-8214.09 g/mol

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Properties

Molecular formula: C₁₂H₁₄Fe
Molar mass: 214.09 g/mol
Exact mass: 214.0445 Da
Density: 1.2469 g/mL (at 20.5 °C)
Boiling point: 108–109 °C (at 5.5 Torr)
logP: 3.37Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

1273-89-8

SMILES

CCc1ccc[cH-]1.[Fe+2].c1cc[cH-]c1

InChIKey

FCNXGBYXGSKCDG-UHFFFAOYSA-N

InChI

InChI=1S/C7H9.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h3-6H,2H2,1H3;1-5H;/q2*-1;+2

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Names and synonyms

4 names

Ferrocene, ethyl-
Iron, cyclopentadienyl(ethylcyclopentadienyl)-
1-Ethylferrocene
Monoethylferrocene

Work with Ethylferrocene

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′-Diethylferrocene1273-97-885 % similar N,N-Dimethylaminomethylferrocene1271-86-967 % similar Butylferrocene31904-29-765 % similar Ferroceneacetic acid1287-16-753 % similar 1-Ferrocenylethanol1277-49-245 % similar Vinylferrocene1271-51-844 % similar [(1S)-1-(Dimethylamino)ethyl]ferrocene31886-57-443 % similar [(1R)-1-(Dimethylamino)ethyl]ferrocene31886-58-543 % similar

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

Same formula

1,1′-Dimethylferrocene1291-47-0

Elsewhere

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