Structure Info
- Chemspace ID
- CSMB00025788774 (Enamine MADE)
- CAS
- 2137470-90-5
- MFCD
- MFCD30734975
- IUPAC Name
- 3-tert-butyl 2-chloromethyl 5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane-2,3-dicarboxylate
- Mol formula
- C13H17ClF3NO4
- Mol weight
- 344 Da
- Catalog Number(s)
- BBV-110002299, CSC025788774, EN300-386939, FCH9165699
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.51
- Heavy atoms count
- 22
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.846
- Polar surface area (Å)
- 56
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00025788774
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