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Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1ccc(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1- InChIKey
JDIGVYCJKULNAP-UHFFFAOYSA-N- Molecular formula
- C22H22FNO4S
- Average molar mass
- 415.5 g/mol
- Monoisotopic mass
- 415.12535752
Names & identifiers
- Preferred name
- 1-tert-Butyloxycarbonyl-2-(4-methylsulfonylphenyl)-3-(4-fluorophenyl)pyrrole
- IUPAC
- tert-butyl 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)pyrrole-1-carboxylate
Names & synonyms
SCHEMBL10737731JDIGVYCJKULNAP-UHFFFAOYSA-N1-tert-Butyloxycarbonyl-2-(4-methylsulfonylphenyl)-3-(4-fluorophenyl)pyrrole
Database identifiers
- PubChem CID
- 10093290
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 668
Related reactions
2 records
Compound notes
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