5-Fluoro-3-methyl-1H-indole

C₉H₈FNCAS 392-13-2149.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈FN
Molar mass: 149.17 g/mol
Exact mass: 149.0641 Da
Melting point: 82–83 °C
logP: 2.62Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Identifiers

CAS number

392-13-2

SMILES

Cc1c[nH]c2ccc(F)cc12

InChIKey

CSDHAGJNOQIBHZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H8FN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5,11H,1H3

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Names and synonyms

3 names

1H-Indole, 5-fluoro-3-methyl-
Indole, 5-fluoro-3-methyl-
5-Fluoro-3-methylindole

Work with 5-Fluoro-3-methyl-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

5-Fluoro-N,N-dimethyl-1H-indole-3-methanamine343-90-853 % similar Skatole83-34-152 % similar 5-Fluoro-1H-indole-3-carboxylic acid23077-43-249 % similar 5-Fluorotryptamine hydrochloride2711-58-248 % similar 4-Fluoro-1,2-dimethylbenzene452-64-247 % similar 5-Fluoroindole-3-acetic acid443-73-245 % similar 1,4-Difluoro-2-methylbenzene452-67-544 % similar 2,4-Difluoro-1-methylbenzene452-76-644 % similar

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

Same formula

5-Fluoro-2-methylindole399-72-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook