7-Fluoro-1H-indole

C₈H₆FNCAS 387-44-0135.14 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₆FN
Molar mass: 135.14 g/mol
Exact mass: 135.0484 Da
Melting point: 61–62 °C
logP: 2.31Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed61.9% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage61.9% of notifiers
H319 Causes serious eye irritation38.1% of notifiers
H335 May cause respiratory irritation98.4% of notifiers

Aggregated from 63 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

387-44-0

SMILES

Fc1cccc2cc[nH]c12

InChIKey

XONKJZDHGCMRRF-UHFFFAOYSA-N

InChI

InChI=1S/C8H6FN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H

Weigh it out

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

Names and synonyms

3 names

1H-Indole, 7-fluoro-
Indole, 7-fluoro-
7-Fluoroindole

Work with 7-Fluoro-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

7-Bromoindole51417-51-754 % similar 7-Chloroindole53924-05-354 % similar 5,7-Difluoro-1H-indole301856-25-753 % similar 8-Fluoro-4-hydroxyquinoline63010-71-953 % similar 7-Hydroxyindole2380-84-952 % similar 7-Aminoindole5192-04-152 % similar 7-Methylindole933-67-552 % similar 7-Fluoro-1H-indazole341-24-248 % 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

PubChem CAS Common Chemistry NIST WebBook