2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole

C21H21FN2O — CID 67254218

IUPAC2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole
SMILESFC1C(=CCOc2ccc3c(c2)[nH]c2ccccc23)C2CCN1CC2
InChIInChI=1S/C21H21FN2O/c22-21-16(14-7-10-24(21)11-8-14)9-12-25-15-5-6-18-17-3-1-2-4-19(17)23-20(18)13-15/h1-6,9,13-14,21,23H,7-8,10-12H2
InChIKeyUUJXOTWZCBORLS-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.65
Rot. Bonds3

About 2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole

2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole (PubChem CID 67254218) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole.

Molecular Properties

Compound Name2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole
PubChem CID67254218
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole
SMILESFC1C(=CCOc2ccc3c(c2)[nH]c2ccccc23)C2CCN1CC2
InChIInChI=1S/C21H21FN2O/c22-21-16(14-7-10-24(21)11-8-14)9-12-25-15-5-6-18-17-3-1-2-4-19(17)23-20(18)13-15/h1-6,9,13-14,21,23H,7-8,10-12H2
InChIKeyUUJXOTWZCBORLS-UHFFFAOYSA-N
XLogP4.65
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole?
The IUPAC name of 2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole (CID 67254218) is 2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole.
What is the SMILES notation for 2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole?
The canonical SMILES for 2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole is FC1C(=CCOc2ccc3c(c2)[nH]c2ccccc23)C2CCN1CC2.
What is the InChIKey of 2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole?
The InChIKey is UUJXOTWZCBORLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c22-21-16(14-7-10-24(21)11-8-14)9-12-25-15-5-6-18-17-3-1-2-4-19(17)23-20(18)13-15/h1-6,9,13-14,21,23H,7-8,10-12H2.
What are the key properties of 2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole?
2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole has a molecular weight of 336.41 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-1-azabicyclo[2.2.2]octan-3-ylidene)ethoxy]-9H-carbazole is sourced from PubChem (CID 67254218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).