Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCCCOCc1cc(Br)ccc1F- InChIKey
XGQCMIUSYPVUCF-UHFFFAOYSA-N- Molecular formula
- C16H23BrFNO3
- Average molar mass
- 376.26 g/mol
Names & identifiers
- Preferred name
- N-(t-butoxycarbonyl)-4-(2-fluoro-5-bromobenzyloxy)butylamine
- IUPAC
- tert-butyl N-[4-[(5-bromo-2-fluorophenyl)methoxy]butyl]carbamate
Names & synonyms
SCHEMBL7960753XGQCMIUSYPVUCF-UHFFFAOYSA-NN-(t-butoxycarbonyl )-4-(2-fluoro-5-bromobenzyloxy)butylamine
Database identifiers
- PubChem CID
- 21196003
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 336
Related reactions
2 records
Compound notes
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