2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C11H19F2NO — CID 163889605

IUPAC2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC12CC(F)CN1CC(F)C2
InChIInChI=1S/C11H19F2NO/c1-8(2)15-7-11-3-9(12)5-14(11)6-10(13)4-11/h8-10H,3-7H2,1-2H3
InChIKeyMHNCAZUPZNWTPR-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.94
Rot. Bonds3

About 2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 163889605) has the molecular formula C11H19F2NO and a molecular weight of 219.28 g/mol. Its IUPAC name is 2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID163889605
Molecular FormulaC11H19F2NO
Molecular Weight219.28 g/mol
Exact Mass219.14
IUPAC Name2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC12CC(F)CN1CC(F)C2
InChIInChI=1S/C11H19F2NO/c1-8(2)15-7-11-3-9(12)5-14(11)6-10(13)4-11/h8-10H,3-7H2,1-2H3
InChIKeyMHNCAZUPZNWTPR-UHFFFAOYSA-N
XLogP1.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 163889605) is 2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)OCC12CC(F)CN1CC(F)C2.
What is the InChIKey of 2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is MHNCAZUPZNWTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-8(2)15-7-11-3-9(12)5-14(11)6-10(13)4-11/h8-10H,3-7H2,1-2H3.
What are the key properties of 2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 219.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 163889605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).