Basic information
- Standard SMILES
CC(C)(C)N(C(=O)[O-])C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1- InChIKey
QGFNOUAFPKMIFS-UHFFFAOYSA-M- Molecular formula
- C16H20ClF3N3O2-
- Average molar mass
- 378.8 g/mol
- Monoisotopic mass
- 378.1196141
Names & identifiers
- Preferred name
- N-tert-butyl-N-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]carbamate
- IUPAC
- N-tert-butyl-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
Names & synonyms
QGFNOUAFPKMIFS-UHFFFAOYSA-MN-tert-butyl-N-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]carbamate
Database identifiers
- PubChem CID
- 86625872
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- -1
- Complexity
- 471
Related reactions
1 records
Compound notes
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