6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

C12H22FNO — CID 163889612

IUPAC6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)OCC12CCCN1CC(C)(F)C2
InChIInChI=1S/C12H22FNO/c1-10(2)15-9-12-5-4-6-14(12)8-11(3,13)7-12/h10H,4-9H2,1-3H3
InChIKeyJMIIQZGKKAIMBS-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.38
Rot. Bonds3

About 6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 163889612) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID163889612
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)OCC12CCCN1CC(C)(F)C2
InChIInChI=1S/C12H22FNO/c1-10(2)15-9-12-5-4-6-14(12)8-11(3,13)7-12/h10H,4-9H2,1-3H3
InChIKeyJMIIQZGKKAIMBS-UHFFFAOYSA-N
XLogP2.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 163889612) is 6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is CC(C)OCC12CCCN1CC(C)(F)C2.
What is the InChIKey of 6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is JMIIQZGKKAIMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-10(2)15-9-12-5-4-6-14(12)8-11(3,13)7-12/h10H,4-9H2,1-3H3.
What are the key properties of 6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 215.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methyl-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 163889612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).