tert-butyl 5-(7-fluoro-2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-2,3-dihydro-1H-pyrrole-1-carboxylate

HCID 89618649
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC=C1c1cc(F)cc2c1OCCO2
InChIKey
CKRHQBDIEXRXMY-UHFFFAOYSA-N
Molecular formula
C17H20FNO4
Average molar mass
321.34 g/mol
Monoisotopic mass
321.13763628

Names & identifiers

Preferred name
tert-butyl 5-(7-fluoro-2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-2,3-dihydro-1H-pyrrole-1-carboxylate
IUPAC
tert-butyl 5-(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydropyrrole-1-carboxylate

Names & synonyms

SCHEMBL15017440CKRHQBDIEXRXMY-UHFFFAOYSA-Ntert-butyl 5-(7-fluoro-2,3-dihydrobenzo[b][1,4]dioxin-5-yl)-2,3-dihydro-1H-pyrrole-1-carboxylate

Database identifiers

PubChem CID
89618649

Properties

Computed structural properties

XLogP
3
Topological polar surface area
48 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
23

Related reactions

6 records
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Compound notes

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