2-(5-(1H-Pyrrol-2-YL)-1-(trifluoroacetyl)-2-pyrrolidinyl)-1H-pyrrole
Basic information
- CAS
892150-40-2- Standard SMILES
O=C(N1C(c2ccc[nH]2)CCC1c1ccc[nH]1)C(F)(F)F- InChIKey
ARCCDGSEIZVBJE-UHFFFAOYSA-N- Molecular formula
- C14H14F3N3O
- Average molar mass
- 297.28 g/mol
- Monoisotopic mass
- 297.10889656
Names & identifiers
- Preferred name
- 2-(5-(1H-Pyrrol-2-YL)-1-(trifluoroacetyl)-2-pyrrolidinyl)-1H-pyrrole
- IUPAC
- 1-[2,5-bis(1H-pyrrol-2-yl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
Names & synonyms
AKOS0244062522-(5-(1H-PYRROL-2-YL)-1-(TRIFLUOROACETYL)-2-PYRROLIDINYL)-1H-PYRROLE
Database identifiers
- CAS
892150-40-2- PubChem CID
- 4322720
- EC Number
- 123-617-8
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 51.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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