chempirical

4-Fluoroindole

C8H6FNCAS 387-43-9135.14 g/mol

Open in Covalent MOL file
NHF
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
387-43-9
SMILES
C1=CC2=C(C=CN2)C(=C1)F
InChIKey
ZWKIJOPJWWZLDI-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H

Weigh it out

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

Work with 4-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

4,5-Difluoro-1H-indole247564-63-255 % similar 4-Chloroindole25235-85-254 % similar 4-Bromoindole52488-36-554 % similar 4,6-Difluoroindole199526-97-153 % similar 4-Methylindole16096-32-552 % similar 1H-Indol-4-ol2380-94-152 % similar 4-Aminoindole5192-23-452 % similar 4-(Trifluoromethyl)-1H-indole128562-95-852 % 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 7-Fluoro-1H-indole387-44-0

Elsewhere

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