Ethyl 5-fluoro-1,3-dimethyl-1H-indole-2-carboxylate
Basic information
- CAS
854531-35-4- Standard SMILES
CCOC(=O)c1c(C)c2cc(F)ccc2n1C- InChIKey
SOINFAGYCGYFMW-UHFFFAOYSA-N- Molecular formula
- C13H14FNO2
- Average molar mass
- 235.25 g/mol
- Monoisotopic mass
- 235.10085685
Names & identifiers
- Preferred name
- Ethyl 5-fluoro-1,3-dimethyl-1H-indole-2-carboxylate
- IUPAC
- ethyl 5-fluoro-1,3-dimethylindole-2-carboxylate
Names & synonyms
SCHEMBL4615959DTXSID901222993Ethyl 5-fluoro-1,3-dimethyl-1H-indole-2-carboxylate854531-35-4
Database identifiers
- CAS
854531-35-4- PubChem CID
- 69115643
- DTXSID
DTXSID901222993
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
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Compound notes
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