4,5-Difluoro-1H-indole

C8H5F2NCAS 247564-63-2153.13 g/mol

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FNHF
Aryl halide

Properties

Molecular formula
C8H5F2N
Molar mass
153.13 g/mol
Exact mass
153.0390 Da
logP
2.45Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Hazards

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

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Identifiers

CAS number
247564-63-2
SMILES
Fc1ccc2[nH]ccc2c1F
InChIKey
JKIMQGBSJJPZOI-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F2N/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4,11H

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Names and synonyms

2 names
  • 1H-Indole, 4,5-difluoro-
  • 4,5-Difluoroindole

Work with 4,5-Difluoro-1H-indole

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-Fluoroindole387-43-955 % similar 4,5-Difluoro-2-methylindole85462-60-847 % similar 1,2,3,4-Tetrafluorobenzene551-62-246 % similar 4,5,6,7-Tetrafluoroindole16264-67-843 % similar 7-Bromo-4-fluoro-1H-indole292636-09-041 % similar 6-Fluoroquinolin-4-ol391-78-639 % similar 4-Chloroindole25235-85-238 % similar 4-Bromoindole52488-36-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Difluoro-4-methylbenzonitrile1003708-66-4 3,5-Difluorophenylacetonitrile122376-76-5 2,3-Difluorophenylacetonitrile145689-34-5 5,6-Difluoro-1H-indole169674-01-5 4,6-Difluoroindole199526-97-1 5,7-Difluoro-1H-indole301856-25-7 2,6-Difluorobenzeneacetonitrile654-01-3 2,4-Difluorophenylacetonitrile656-35-9

Elsewhere

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