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

C11H19F2NO — CID 177126248

IUPAC6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine
SMILESCC(C)OCC1CCN2CC(F)(F)CC12
InChIInChI=1S/C11H19F2NO/c1-8(2)15-6-9-3-4-14-7-11(12,13)5-10(9)14/h8-10H,3-7H2,1-2H3
InChIKeyNKTWOBZBOHIDAM-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.14
Rot. Bonds3

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

6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine (PubChem CID 177126248) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine.

Molecular Properties

Compound Name6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine
PubChem CID177126248
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine
SMILESCC(C)OCC1CCN2CC(F)(F)CC12
InChIInChI=1S/C11H19F2NO/c1-8(2)15-6-9-3-4-14-7-11(12,13)5-10(9)14/h8-10H,3-7H2,1-2H3
InChIKeyNKTWOBZBOHIDAM-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine?
The IUPAC name of 6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine (CID 177126248) is 6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine.
What is the SMILES notation for 6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine?
The canonical SMILES for 6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine is CC(C)OCC1CCN2CC(F)(F)CC12.
What is the InChIKey of 6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine?
The InChIKey is NKTWOBZBOHIDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-8(2)15-6-9-3-4-14-7-11(12,13)5-10(9)14/h8-10H,3-7H2,1-2H3.
What are the key properties of 6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine?
6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine has a molecular weight of 219.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydropyrrolizine is sourced from PubChem (CID 177126248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).