8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C15H28FNO — CID 176800824

IUPAC8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC1CCC2(C(C)(C)C)CC(F)CN12
InChIInChI=1S/C15H28FNO/c1-11(2)18-10-13-6-7-15(14(3,4)5)8-12(16)9-17(13)15/h11-13H,6-10H2,1-5H3
InChIKeyDNDUXGREXYZATF-UHFFFAOYSA-N
MW257.39 g/mol
LogP3.40
Rot. Bonds3

About 8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 176800824) has the molecular formula C15H28FNO and a molecular weight of 257.39 g/mol. Its IUPAC name is 8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID176800824
Molecular FormulaC15H28FNO
Molecular Weight257.39 g/mol
Exact Mass257.22
IUPAC Name8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC1CCC2(C(C)(C)C)CC(F)CN12
InChIInChI=1S/C15H28FNO/c1-11(2)18-10-13-6-7-15(14(3,4)5)8-12(16)9-17(13)15/h11-13H,6-10H2,1-5H3
InChIKeyDNDUXGREXYZATF-UHFFFAOYSA-N
XLogP3.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 176800824) is 8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)OCC1CCC2(C(C)(C)C)CC(F)CN12.
What is the InChIKey of 8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is DNDUXGREXYZATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO/c1-11(2)18-10-13-6-7-15(14(3,4)5)8-12(16)9-17(13)15/h11-13H,6-10H2,1-5H3.
What are the key properties of 8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 257.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-fluoro-5-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 176800824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).