chempirical

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

C10H7FN2CAS 2341-25-5174.18 g/mol

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NNHF
Aryl halideNitrile

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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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

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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-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 4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile80141-94-248 % similar 6-Fluorotryptophan7730-20-346 % similar

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

Elsewhere

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