3-Fluoro-2-thiophenecarboxylic acid

C5H3FO2SCAS 32431-84-8146.14 g/mol

Open in Covalent MOL file
OHOSF
Aryl halideCarboxylic acid

Properties

Molecular formula
C5H3FO2S
Molar mass
146.14 g/mol
Exact mass
145.9838 Da
Melting point
157–158 °C
logP
1.59Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
32431-84-8
SMILES
O=C(O)c1sccc1F
InChIKey
WPHRBUAOSDHRDS-UHFFFAOYSA-N
InChI
InChI=1S/C5H3FO2S/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)

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Names and synonyms

1 names
  • 2-Thiophenecarboxylic acid, 3-fluoro-

Work with 3-Fluoro-2-thiophenecarboxylic 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

3-Methyl-2-thiophenecarboxylic acid23806-24-856 % similar 3-Chlorothiophene-2-carboxylic acid59337-89-256 % similar 3-Bromothiophene-2-carboxylic acid7311-64-056 % similar 2-Thiophenecarboxylicacid,3-fluoro-,methylester(9ci)100421-52-151 % similar 3,6-Difluorophthalic acid651-97-850 % similar 3-Benzoyl-2-thiophenecarboxylic acid30006-03-247 % similar 2,6-Difluorobenzoic acid385-00-247 % similar 2-Fluorobenzoic acid445-29-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Fluorothiophene-2-carboxylic acid4377-58-6

Elsewhere

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