tert-Butyl 6-(2-fluorobenzyl)-6-hydroxy-1,4-oxazepane-4-carboxylate

HCID 57731942
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCOCC(O)(Cc2ccccc2F)C1
InChIKey
VUBWWAZRTAIJMP-UHFFFAOYSA-N
Molecular formula
C17H24FNO4
Average molar mass
325.4 g/mol
Monoisotopic mass
325.16893641

Names & identifiers

Preferred name
tert-Butyl 6-(2-fluorobenzyl)-6-hydroxy-1,4-oxazepane-4-carboxylate
IUPAC
tert-butyl 6-[(2-fluorophenyl)methyl]-6-hydroxy-1,4-oxazepane-4-carboxylate

Names & synonyms

SCHEMBL13452530VUBWWAZRTAIJMP-UHFFFAOYSA-Ntert-Butyl 6-(2-fluorobenzyl)-6-hydroxy-1,4-oxazepane-4-carboxylate

Database identifiers

PubChem CID
57731942

Properties

Computed structural properties

XLogP
2
Topological polar surface area
59 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

Related reactions

6 records
New reaction record

Compound notes

Loading…