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

C11H18FNO — CID 166984317

IUPAC6-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCC(C)OCC12C=C(F)CN1CCC2
InChIInChI=1S/C11H18FNO/c1-9(2)14-8-11-4-3-5-13(11)7-10(12)6-11/h6,9H,3-5,7-8H2,1-2H3
InChIKeyKPBGYOGHBGKFNO-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.11
Rot. Bonds3

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

6-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine (PubChem CID 166984317) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 6-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Name6-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
PubChem CID166984317
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name6-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCC(C)OCC12C=C(F)CN1CCC2
InChIInChI=1S/C11H18FNO/c1-9(2)14-8-11-4-3-5-13(11)7-10(12)6-11/h6,9H,3-5,7-8H2,1-2H3
InChIKeyKPBGYOGHBGKFNO-UHFFFAOYSA-N
XLogP2.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of 6-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine (CID 166984317) is 6-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for 6-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for 6-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine is CC(C)OCC12C=C(F)CN1CCC2.
What is the InChIKey of 6-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is KPBGYOGHBGKFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-9(2)14-8-11-4-3-5-13(11)7-10(12)6-11/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of 6-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
6-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine has a molecular weight of 199.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 166984317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).