6-Fluoroindole-3-acetic acid

C₁₀H₈FNO₂CAS 443-75-4193.18 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₀H₈FNO₂
Molar mass: 193.18 g/mol
Exact mass: 193.0539 Da
logP: 1.93Crippen estimate
Polar surface area: 53.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 2

Identifiers

CAS number

443-75-4

SMILES

O=C(O)Cc1c[nH]c2cc(F)ccc12

InChIKey

OOEZASHYQRURRT-UHFFFAOYSA-N

InChI

InChI=1S/C10H8FNO2/c11-7-1-2-8-6(3-10(13)14)5-12-9(8)4-7/h1-2,4-5,12H,3H2,(H,13,14)

Weigh it out

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

Names and synonyms

6 names

1H-Indole-3-acetic acid, 6-fluoro-
Indole-3-acetic acid, 6-fluoro-
6-Fluoro-1H-indole-3-acetic acid
SR 043
2-(6-Fluoro-1H-indol-3-yl)acetic acid
2-(6-Fluoro-1H-indol-3-yl)aceticacid

Work with 6-Fluoroindole-3-acetic acid

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-acetic acid87-51-463 % similar 6-Fluorotryptophan7730-20-358 % similar 5-Hydroxyindoleacetic acid1321-73-957 % similar 5-Hydroxyindoleacetic acid54-16-057 % similar 2,4-Difluorophenylacetic acid81228-09-356 % similar 2,5-Difluorobenzeneacetic acid85068-27-556 % similar 5-Methyl-3-indoleacetic acid1912-47-656 % similar (5-Bromo-1H-indol-3-yl)acetic acid40432-84-656 % similar

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

Same formula

6-Fluoro-1H-indole-4-carboxylic acid methyl ester1082040-43-4 5-Fluoroindole-3-acetic acid443-73-2

Elsewhere

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