[(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane

C15H21F2NOSi — CID 11150657

IUPAC[(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane
SMILESCOc1ccc(N2C[C@@H]3C[C@@]2([Si](C)(C)C)C3(F)F)cc1
InChIInChI=1S/C15H21F2NOSi/c1-19-13-7-5-12(6-8-13)18-10-11-9-14(18,15(11,16)17)20(2,3)4/h5-8,11H,9-10H2,1-4H3/t11-,14+/m0/s1
InChIKeyQYSZNQGNAODVLA-SMDDNHRTSA-N
MW297.42 g/mol
LogP3.79
Rot. Bonds3

About [(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane

[(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane (PubChem CID 11150657) has the molecular formula C15H21F2NOSi and a molecular weight of 297.42 g/mol. Its IUPAC name is [(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane
PubChem CID11150657
Molecular FormulaC15H21F2NOSi
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name[(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane
SMILESCOc1ccc(N2C[C@@H]3C[C@@]2([Si](C)(C)C)C3(F)F)cc1
InChIInChI=1S/C15H21F2NOSi/c1-19-13-7-5-12(6-8-13)18-10-11-9-14(18,15(11,16)17)20(2,3)4/h5-8,11H,9-10H2,1-4H3/t11-,14+/m0/s1
InChIKeyQYSZNQGNAODVLA-SMDDNHRTSA-N
XLogP3.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane 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 [(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane?
The IUPAC name of [(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane (CID 11150657) is [(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane.
What is the SMILES notation for [(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane?
The canonical SMILES for [(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane is COc1ccc(N2C[C@@H]3C[C@@]2([Si](C)(C)C)C3(F)F)cc1.
What is the InChIKey of [(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane?
The InChIKey is QYSZNQGNAODVLA-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H21F2NOSi/c1-19-13-7-5-12(6-8-13)18-10-11-9-14(18,15(11,16)17)20(2,3)4/h5-8,11H,9-10H2,1-4H3/t11-,14+/m0/s1.
What are the key properties of [(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane?
[(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane has a molecular weight of 297.42 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-5,5-difluoro-2-(4-methoxyphenyl)-2-azabicyclo[2.1.1]hexan-1-yl]-trimethylsilane is sourced from PubChem (CID 11150657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).