Basic information
- Standard SMILES
CC(C)C1N(c2ccc(C#N)c(F)c2)CCC1(O)C1CC1- InChIKey
PJIADIKIMVHGRJ-UHFFFAOYSA-N- Molecular formula
- C17H21FN2O
- Average molar mass
- 288.36 g/mol
Names & identifiers
- Preferred name
- 4-(3-Cyclopropyl-3-hydroxy-2-propan-2-ylpyrrolidin-1-yl)-2-fluorobenzonitrile
- IUPAC
- 4-(3-cyclopropyl-3-hydroxy-2-propan-2-ylpyrrolidin-1-yl)-2-fluorobenzonitrile
Database identifiers
- PubChem CID
- 72267262
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 441
Related reactions
1 records
Compound notes
Loading…