5-Fluoro-2-methylindene-3-acetic acid

C₁₂H₁₁FO₂CAS 32004-66-3206.22 g/mol

Open in Covalent MOL file

Alkene Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₂H₁₁FO₂
Molar mass: 206.22 g/mol
Exact mass: 206.0743 Da
logP: 2.63Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin60% of notifiers
H315 Causes skin irritation20% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled60% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

32004-66-3

SMILES

CC1=C(CC(=O)O)c2cc(F)ccc2C1

InChIKey

QDDPPRDVFIJASZ-UHFFFAOYSA-N

InChI

InChI=1S/C12H11FO2/c1-7-4-8-2-3-9(13)5-11(8)10(7)6-12(14)15/h2-3,5H,4,6H2,1H3,(H,14,15)

Weigh it out

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

Names and synonyms

7 names

1H-Indene-3-acetic acid, 5-fluoro-2-methyl-
Indene-3-acetic acid, 6-fluoro-2-methyl-
5-Fluoro-2-methyl-1H-indene-3-acetic acid
Indene-3-acetic acid, 5-fluoro-2-methyl-
2-(5-Fluoro-2-methyl-1H-inden-3-yl)aceticacid
(5-Fluoro-2-methyl-1H-inden-3-yl)acetic acid
2-(6-Fluoro-2-methyl-3H-inden-1-yl)acetic acid

Work with 5-Fluoro-2-methylindene-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

2-(Carboxymethyl)-5-fluorobenzoic acid583880-95-957 % similar 2,4-Difluorophenylacetic acid81228-09-350 % similar 2-Chloro-4-fluorobenzeneacetic acid177985-32-948 % similar 2-Bromo-4-fluorobenzeneacetic acid61150-59-248 % similar 2,5-Difluorobenzeneacetic acid85068-27-547 % similar Sulindac38194-50-246 % similar 4-Fluoro-2-(trifluoromethyl)benzeneacetic acid195447-80-446 % similar 5-Fluoro-2-methyl-1-[[4-(methylthio)phenyl]methylene]-1H-indene-3-acetic acid32004-67-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(4-Fluorophenyl)-1,3-cyclohexanedione55579-72-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook