chempirical

5-Fluorothiophene-2-carboxylic acid

C5H3FO2SCAS 4377-58-6146.14 g/mol

Open in Covalent MOL file
SFOHO
Aryl halideCarboxylic acid

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
4377-58-6
SMILES
C1=C(SC(=C1)F)C(=O)O
InChIKey
XQURBTZGKJENJS-UHFFFAOYSA-N
InChI
InChI=1S/C5H3FO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)

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Names and synonyms

1 names
  • 5-Fluoro-2-thiophenecarboxylic acid

Work with 5-Fluorothiophene-2-carboxylic 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

2,5-Thiophenedicarboxylic acid4282-31-968 % similar 5-Methyl-2-thiophenecarboxylic acid1918-79-255 % similar 5-Chloro-2-thiophenecarboxylic acid24065-33-655 % similar 5-Bromo-2-thiophenecarboxylic acid7311-63-955 % similar 5-Acetyl-2-thiophenecarboxylic acid4066-41-553 % similar 5-Ethyl-thiophene-2-carboxylic acid23229-72-352 % similar 5-Formyl-2-thiophenecarboxylic acid4565-31-552 % similar 5-Carboxythiophene-2-boronic acid465515-31-552 % similar

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

Same formula

3-Fluoro-2-thiophenecarboxylic acid32431-84-8

Elsewhere

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