6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine

C13H24FNO — CID 159331623

IUPAC6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC1(F)CN2CCCC2(COC(C)(C)C)C1
InChIInChI=1S/C13H24FNO/c1-11(2,3)16-10-13-6-5-7-15(13)9-12(4,14)8-13/h5-10H2,1-4H3
InChIKeyQAUPOKGFSDKZTA-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.77
Rot. Bonds2

About 6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine

6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 159331623) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID159331623
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC1(F)CN2CCCC2(COC(C)(C)C)C1
InChIInChI=1S/C13H24FNO/c1-11(2,3)16-10-13-6-5-7-15(13)9-12(4,14)8-13/h5-10H2,1-4H3
InChIKeyQAUPOKGFSDKZTA-UHFFFAOYSA-N
XLogP2.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 159331623) is 6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine is CC1(F)CN2CCCC2(COC(C)(C)C)C1.
What is the InChIKey of 6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is QAUPOKGFSDKZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-11(2,3)16-10-13-6-5-7-15(13)9-12(4,14)8-13/h5-10H2,1-4H3.
What are the key properties of 6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine?
6-fluoro-6-methyl-8-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 229.34 g/mol, XLogP of 2.77, 2 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-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 159331623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).