4,6-Difluoroindole

C₈H₅F₂NCAS 199526-97-1153.13 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₅F₂N
Molar mass: 153.13 g/mol
Exact mass: 153.0390 Da
logP: 2.45Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

199526-97-1

SMILES

C1=CNC2=C1C(=CC(=C2)F)F

InChIKey

MHICCULQVCEWFH-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F2N/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H

Weigh it out

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

Names and synonyms

1 names

4,6-Difluoro-1H-indole

Work with 4,6-Difluoroindole

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-Fluoroindole387-43-953 % similar 6-Fluoroindole399-51-948 % similar 6-Fluoro-1H-indole-4-carboxylic acid methyl ester1082040-43-448 % similar 5-Fluoroindole399-52-044 % similar 6-Fluoroquinolin-4-ol391-78-642 % similar 4,6-Difluoro-1H-indole-2-carboxylic acid247564-66-540 % similar 1,2,3,5-Tetrafluorobenzene2367-82-039 % similar 6-Chloro-5-fluoro-1H-indole122509-72-239 % similar

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

Same formula

2,5-Difluoro-4-methylbenzonitrile1003708-66-4 3,5-Difluorophenylacetonitrile122376-76-5 2,3-Difluorophenylacetonitrile145689-34-5 5,6-Difluoro-1H-indole169674-01-5 4,5-Difluoro-1H-indole247564-63-2 5,7-Difluoro-1H-indole301856-25-7 2,6-Difluorobenzeneacetonitrile654-01-3 2,4-Difluorophenylacetonitrile656-35-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook