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Basic information
- Standard SMILES
O=C(O)C(=Cc1cccs1)c1ccc(F)cc1- InChIKey
BBYPOXFMLVHSRL-UHFFFAOYSA-N- Molecular formula
- C13H9FO2S
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.03072886
Names & identifiers
- Preferred name
- 2-(4-Fluorophenyl)-3-thiophen-2-ylprop-2-enoic acid
- IUPAC
- 2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoic acid
Names & synonyms
AKOS034458018
Database identifiers
- PubChem CID
- 358935
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
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Compound notes
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