6-Fluoro-1H-indole-3-acetonitrile

C₁₀H₇FN₂CAS 2341-25-5174.18 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₁₀H₇FN₂
Molar mass: 174.18 g/mol
Exact mass: 174.0593 Da
Melting point: 51–52 °C (sublimes)
logP: 2.37Crippen estimate
Polar surface area: 39.6 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2341-25-5

SMILES

N#CCc1c[nH]c2cc(F)ccc12

InChIKey

PLNHDPOPGAMJAW-UHFFFAOYSA-N

InChI

InChI=1S/C10H7FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3H2

Weigh it out

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

Names and synonyms

3 names

1H-Indole-3-acetonitrile, 6-fluoro-
Indole-3-acetonitrile, 6-fluoro-
2-(6-Fluoro-1H-indol-3-yl)acetonitrile

Work with 6-Fluoro-1H-indole-3-acetonitrile

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

Indole-3-acetonitrile771-51-761 % similar 6-Methoxy-1H-indole-3-acetonitrile23084-35-760 % similar 6-Fluorotryptamine575-85-959 % similar 6-Fluorogramine343-93-156 % similar 6-Fluorotryptamine hydrochloride55206-24-155 % similar 2,4-Difluorophenylacetonitrile656-35-953 % similar 2,5-Difluorobenzeneacetonitrile69584-87-853 % similar 6-Fluoroindole-3-acetic acid443-75-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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