chempirical

5,6-Difluoro-1H-indole

C8H5F2NCAS 169674-01-5153.13 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
169674-01-5
SMILES
Fc1cc2cc[nH]c2cc1F
InChIKey
YCVSNMPGFSFANR-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H

Weigh it out

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

Names and synonyms

2 names
  • 1H-Indole, 5,6-difluoro-
  • 5,6-Difluoroindole

Work with 5,6-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

6-Chloro-5-fluoro-1H-indole122509-72-268 % similar 5-Fluoroindole399-52-054 % similar 5,6-Dichloro-1H-indole121859-57-250 % similar 5,6-Dihydroxyindole3131-52-050 % similar 5,6-Dimethoxyindole14430-23-045 % similar 5-Methylindole614-96-045 % similar 5-(Trifluoromethyl)-1H-indole100846-24-044 % similar 6-Iodo-1H-indole115666-47-243 % 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 4,5-Difluoro-1H-indole247564-63-2 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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