5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene

C13H20FN — CID 174298806

IUPAC5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)(F)CC1CNC2C3C=CC(C3)C12
InChIInChI=1S/C13H20FN/c1-13(2,14)6-10-7-15-12-9-4-3-8(5-9)11(10)12/h3-4,8-12,15H,5-7H2,1-2H3
InChIKeyVSLDTNXWPTVUFS-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.53
Rot. Bonds2

About 5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene

5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 174298806) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID174298806
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)(F)CC1CNC2C3C=CC(C3)C12
InChIInChI=1S/C13H20FN/c1-13(2,14)6-10-7-15-12-9-4-3-8(5-9)11(10)12/h3-4,8-12,15H,5-7H2,1-2H3
InChIKeyVSLDTNXWPTVUFS-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene (CID 174298806) is 5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene is CC(C)(F)CC1CNC2C3C=CC(C3)C12.
What is the InChIKey of 5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is VSLDTNXWPTVUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-13(2,14)6-10-7-15-12-9-4-3-8(5-9)11(10)12/h3-4,8-12,15H,5-7H2,1-2H3.
What are the key properties of 5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene?
5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 209.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-2-methylpropyl)-3-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 174298806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).