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

C11H20FNO — CID 163889604

IUPAC1-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC12CCCN1CCC2F
InChIInChI=1S/C11H20FNO/c1-9(2)14-8-11-5-3-6-13(11)7-4-10(11)12/h9-10H,3-8H2,1-2H3
InChIKeyLWVWGWPKXKLCCY-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.99
Rot. Bonds3

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

1-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 163889604) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name1-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID163889604
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name1-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)OCC12CCCN1CCC2F
InChIInChI=1S/C11H20FNO/c1-9(2)14-8-11-5-3-6-13(11)7-4-10(11)12/h9-10H,3-8H2,1-2H3
InChIKeyLWVWGWPKXKLCCY-UHFFFAOYSA-N
XLogP1.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 1-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 163889604) is 1-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 1-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 1-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)OCC12CCCN1CCC2F.
What is the InChIKey of 1-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is LWVWGWPKXKLCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-9(2)14-8-11-5-3-6-13(11)7-4-10(11)12/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
1-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 201.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 163889604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).