Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC(C(O)c2cccc(Cl)c2F)C1- InChIKey
AZFORPDHMRYHEI-UHFFFAOYSA-N- Molecular formula
- C17H23ClFNO3
- Average molar mass
- 343.8 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-[(3-chloro-2-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate
- IUPAC
- tert-butyl 3-[(3-chloro-2-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1863154
Database identifiers
- PubChem CID
- 67190859
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 415
Related reactions
2 records
Compound notes
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