Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC(O)c2cc3c(cc21)OC(F)(F)O3- InChIKey
CGFCXVGVALAKPD-UHFFFAOYSA-N- Molecular formula
- C16H19F2NO5
- Average molar mass
- 343.32 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2,2-difluoro-9-hydroxy-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h][1]benzazepine-5-carboxylate
- IUPAC
- tert-butyl 2,2-difluoro-9-hydroxy-6,7,8,9-tetrahydro-[1,3]dioxolo[4,5-h][1]benzazepine-5-carboxylate
Names & synonyms
SCHEMBL3533038
Database identifiers
- PubChem CID
- 68679481
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 495
Related reactions
2 records
Compound notes
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