2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene

C15H24FN — CID 167424933

IUPAC2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)C1C2C3C=CC(C3)C2(F)CN1C(C)C
InChIInChI=1S/C15H24FN/c1-9(2)14-13-11-5-6-12(7-11)15(13,16)8-17(14)10(3)4/h5-6,9-14H,7-8H2,1-4H3
InChIKeyYHRGQSLTLZUERU-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.27
Rot. Bonds2

About 2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene

2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 167424933) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID167424933
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESCC(C)C1C2C3C=CC(C3)C2(F)CN1C(C)C
InChIInChI=1S/C15H24FN/c1-9(2)14-13-11-5-6-12(7-11)15(13,16)8-17(14)10(3)4/h5-6,9-14H,7-8H2,1-4H3
InChIKeyYHRGQSLTLZUERU-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene 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-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 167424933) is 2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is CC(C)C1C2C3C=CC(C3)C2(F)CN1C(C)C.
What is the InChIKey of 2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is YHRGQSLTLZUERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-9(2)14-13-11-5-6-12(7-11)15(13,16)8-17(14)10(3)4/h5-6,9-14H,7-8H2,1-4H3.
What are the key properties of 2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene?
2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 237.36 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-di(propan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 167424933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).