5-Fluoroindole-3-acetic acid

C10H8FNO2CAS 443-73-2193.18 g/mol

Open in Covalent MOL file
OHONHF
Aryl halideCarboxylic acid

Properties

Molecular formula
C10H8FNO2
Molar mass
193.18 g/mol
Exact mass
193.0539 Da
Melting point
138–140 °C
logP
1.93Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
443-73-2
SMILES
O=C(O)Cc1c[nH]c2ccc(F)cc12
InChIKey
GWLLOJBOPVNWNF-UHFFFAOYSA-N
InChI
InChI=1S/C10H8FNO2/c11-7-1-2-9-8(4-7)6(5-12-9)3-10(13)14/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

10 names
  • 1H-Indole-3-acetic acid, 5-fluoro-
  • Indole-3-acetic acid, 5-fluoro-
  • 5-Fluoro-1H-indole-3-acetic acid
  • 5-Fluoro-IAA
  • 2-(5-Fluoro-3-indolyl)acetic acid
  • (5-Fluoroindol-3-yl)acetic acid
  • 2-(5-Fluoro-1H-indol-3-yl)acetic acid
  • NSC 88616
  • 5-Fluoroindoleacetic acid
  • (5-Fluoro-1H-indol-3-yl)acetic acid

Work with 5-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

4-(5-Fluoro-1H-indol-3-yl)-butyric acid319-72-274 % similar 5-Hydroxyindoleacetic acid1321-73-968 % similar 5-Hydroxyindoleacetic acid54-16-068 % similar 5-Methyl-3-indoleacetic acid1912-47-667 % similar (5-Bromo-1H-indol-3-yl)acetic acid40432-84-667 % similar 5-Methoxyindoleacetic acid3471-31-664 % similar Indole-3-acetic acid87-51-463 % similar 5-Fluoro-DL-tryptophan154-08-558 % 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 6-Fluoroindole-3-acetic acid443-75-4

Elsewhere

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