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

C11H18FNO — CID 163656567

IUPAC7-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCC(C)OCC12CCCN1CC=C2F
InChIInChI=1S/C11H18FNO/c1-9(2)14-8-11-5-3-6-13(11)7-4-10(11)12/h4,9H,3,5-8H2,1-2H3
InChIKeyUVWCPHXUWAOGMF-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.11
Rot. Bonds3

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

7-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine (PubChem CID 163656567) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 7-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Name7-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
PubChem CID163656567
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name7-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine
SMILESCC(C)OCC12CCCN1CC=C2F
InChIInChI=1S/C11H18FNO/c1-9(2)14-8-11-5-3-6-13(11)7-4-10(11)12/h4,9H,3,5-8H2,1-2H3
InChIKeyUVWCPHXUWAOGMF-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 7-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of 7-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine (CID 163656567) is 7-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for 7-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for 7-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine is CC(C)OCC12CCCN1CC=C2F.
What is the InChIKey of 7-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is UVWCPHXUWAOGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-9(2)14-8-11-5-3-6-13(11)7-4-10(11)12/h4,9H,3,5-8H2,1-2H3.
What are the key properties of 7-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine?
7-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 7-fluoro-8-(propan-2-yloxymethyl)-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 163656567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).