4,5,6,7-Tetrafluoro-1H-indole-3-carbaldehyde

C₉H₃F₄NOCAS 30683-38-6217.12 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₉H₃F₄NO
Molar mass: 217.12 g/mol
Exact mass: 217.0151 Da
logP: 2.54Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

30683-38-6

SMILES

C1=C(C2=C(N1)C(=C(C(=C2F)F)F)F)C=O

InChIKey

BHGCCJJOMNIVOA-UHFFFAOYSA-N

InChI

InChI=1S/C9H3F4NO/c10-5-4-3(2-15)1-14-9(4)8(13)7(12)6(5)11/h1-2,14H

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Names and synonyms

1 names

4,5,6,7-Tetrafluoroindole-3-carboxaldehyde

Work with 4,5,6,7-Tetrafluoro-1H-indole-3-carbaldehyde

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

2,3,4,5-Tetrafluorobenzaldehyde16583-06-541 % similar 4-Chloroindole-3-carbaldehyde876-72-238 % similar 5-Fluoro-1H-indole-3-carbaldehyde2338-71-838 % similar 6-Fluoroindole-3-carboxaldehyde2795-41-738 % similar 7-Methyl-1H-indole-3-carbaldehyde4771-50-038 % similar 2,3,4-Trifluorobenzaldehyde161793-17-537 % similar Pentafluorobenzaldehyde653-37-237 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-5-carbaldehyde908287-21-837 % similar

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

Elsewhere

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