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

C9H3F4NOCAS 30683-38-6217.12 g/mol

Open in Covalent MOL file
NHFFFFO
AldehydeAryl 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 4-Bromoindole-3-carboxaldehyde98600-34-138 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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