5-Fluoroindole

C8H6FNCAS 399-52-0135.14 g/mol

Open in Covalent MOL file
FNH
Aryl halide

Properties

Molecular formula
C8H6FN
Molar mass
135.14 g/mol
Exact mass
135.0484 Da
Melting point
46 °C
logP
2.31Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
399-52-0
SMILES
Fc1ccc2[nH]ccc2c1
InChIKey
ODFFPRGJZRXNHZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H

Weigh it out

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

Names and synonyms

4 names
  • 1H-Indole, 5-fluoro-
  • Indole, 5-fluoro-
  • 5-Fluoro-1H-indole
  • NSC 88613

Work with 5-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

6-Fluoroindole399-51-969 % similar 5-Chloroindole17422-32-157 % similar 5,6-Difluoro-1H-indole169674-01-554 % similar 5-Methylindole614-96-054 % similar 6-Fluoroquinolin-4-ol391-78-653 % similar 5-Bromoindole10075-50-052 % similar 5-Iodo-1H-indole16066-91-452 % similar 5-Hydroxyindole1953-54-452 % 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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