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Basic information
- Standard SMILES
O=C(OC1CCNCC1)[C@](O)(c1ccc(Br)cc1)[C@@H]1CCC(F)(F)C1- InChIKey
OEDLJWNLTUAAAM-ACJLOTCBSA-N- Molecular formula
- C18H22BrF2NO3
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 417.07511
Names & identifiers
- Preferred name
- piperidin-4-yl (2R)-2-((1R)-3,3-difluorocyclopentyl)-2-hydroxy-2-(4-bromophenyl)ethanoate
- IUPAC
- piperidin-4-yl (2R)-2-(4-bromophenyl)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxyacetate
Names & synonyms
piperidin-4-yl (2R)-2-((1R)-3,3-difluorocyclopentyl)-2-hydroxy-2-(4-bromophenyl)ethanoateSCHEMBL6401026piperidin-4-yl(2r)-2-((1r)-3,3-difluorocyclopentyl)-2-hydroxy-2-(4-bromophenyl)ethanoate
Database identifiers
- PubChem CID
- 69766871
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Related reactions
3 records
Compound notes
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