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

C12H20FNO — CID 163656570

IUPAC2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C1CN2CC(F)CC2(COC(C)C)C1
InChIInChI=1S/C12H20FNO/c1-9(2)15-8-12-4-10(3)6-14(12)7-11(13)5-12/h9,11H,3-8H2,1-2H3
InChIKeyIOWGBAGGDACPQR-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.15
Rot. Bonds3

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

2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 163656570) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID163656570
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C1CN2CC(F)CC2(COC(C)C)C1
InChIInChI=1S/C12H20FNO/c1-9(2)15-8-12-4-10(3)6-14(12)7-11(13)5-12/h9,11H,3-8H2,1-2H3
InChIKeyIOWGBAGGDACPQR-UHFFFAOYSA-N
XLogP2.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-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 2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 163656570) is 2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is C=C1CN2CC(F)CC2(COC(C)C)C1.
What is the InChIKey of 2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is IOWGBAGGDACPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO/c1-9(2)15-8-12-4-10(3)6-14(12)7-11(13)5-12/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 213.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 163656570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).