4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene

C11H16FN — CID 131160078

IUPAC4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESFCCN1CC2C3C=CC(C3)C2C1
InChIInChI=1S/C11H16FN/c12-3-4-13-6-10-8-1-2-9(5-8)11(10)7-13/h1-2,8-11H,3-7H2
InChIKeyZRGZLKYTOYRPND-UHFFFAOYSA-N
MW181.25 g/mol
LogP1.71
Rot. Bonds2

About 4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene

4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 131160078) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID131160078
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESFCCN1CC2C3C=CC(C3)C2C1
InChIInChI=1S/C11H16FN/c12-3-4-13-6-10-8-1-2-9(5-8)11(10)7-13/h1-2,8-11H,3-7H2
InChIKeyZRGZLKYTOYRPND-UHFFFAOYSA-N
XLogP1.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
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 4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 131160078) is 4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is FCCN1CC2C3C=CC(C3)C2C1.
What is the InChIKey of 4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is ZRGZLKYTOYRPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c12-3-4-13-6-10-8-1-2-9(5-8)11(10)7-13/h1-2,8-11H,3-7H2.
What are the key properties of 4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 181.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 131160078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).