chempirical

6-Fluoroindole

C8H6FNCAS 399-51-9135.14 g/mol

Open in Covalent MOL file
HNF
Aryl halide

Properties

Molecular formula
C8H6FN
Molar mass
135.14 g/mol
Exact mass
135.0484 Da
logP
2.31Crippen 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. Search the SDS library

Identifiers

CAS number
399-51-9
SMILES
C1=CC(=CC2=C1C=CN2)F
InChIKey
YYFFEPUCAKVRJX-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H

Weigh it out

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

Work with 6-Fluoroindole

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

5-Fluoroindole399-52-069 % similar 5,6-Difluoro-1H-indole169674-01-554 % similar 6-Methylindole3420-02-854 % similar 6-Iodo-1H-indole115666-47-252 % similar 6-Chloroindole17422-33-252 % similar 6-Hydroxyindole2380-86-152 % similar 6-Bromoindole52415-29-952 % similar 6-Aminoindole5318-27-452 % similar

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

Same formula

4-Fluoro-2-methylbenzonitrile147754-12-9 3-Fluoro-4-methylbenzonitrile170572-49-3 3-Fluoro-2-methylbenzonitrile185147-06-2 4-Fluoro-3-methylbenzonitrile185147-08-4 2-Fluoro-6-methylbenzonitrile198633-76-0 3-Fluoro-5-methylbenzonitrile216976-30-6 2-Fluorobenzeneacetonitrile326-62-5 4-Fluoroindole387-43-9

Elsewhere

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