chempirical

4,5-Difluoro-1H-indole

C8H5F2NCAS 247564-63-2153.13 g/mol

Open in Covalent MOL file
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

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

Weigh it out

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

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

1,2,3,4-Tetrafluorobenzene551-62-246 % similar 4-Chloroindole25235-85-238 % similar 4-Bromoindole52488-36-538 % similar 4-(Trifluoromethyl)-1H-indole128562-95-837 % similar 2,3,6-Trifluorophenol113798-74-637 % similar 4-Methylindole16096-32-536 % similar 1H-Indol-4-ol2380-94-136 % similar 5-Fluoroindole399-52-036 % 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-Difluorobenzeneacetonitrile145689-34-5 5,6-Difluoro-1H-indole169674-01-5 2,6-Difluorobenzeneacetonitrile654-01-3 2,4-Difluorophenylacetonitrile656-35-9 3,4-Difluorobenzeneacetonitrile658-99-1 2,5-Difluorobenzeneacetonitrile69584-87-8

Elsewhere

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