[8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane

C22H34FNO3Si — CID 20513798

IUPAC[8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC12CCCC(CC1)N2CCCC1(c2ccc(F)cc2)OCCO1
InChIInChI=1S/C22H34FNO3Si/c1-28(2,3)27-21-12-4-6-20(11-14-21)24(21)15-5-13-22(25-16-17-26-22)18-7-9-19(23)10-8-18/h7-10,20H,4-6,11-17H2,1-3H3
InChIKeyMORZFWYRJYJLHH-UHFFFAOYSA-N
MW407.60 g/mol
LogP5.00
Rot. Bonds7

About [8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane

[8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane (PubChem CID 20513798) has the molecular formula C22H34FNO3Si and a molecular weight of 407.60 g/mol. Its IUPAC name is [8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane
PubChem CID20513798
Molecular FormulaC22H34FNO3Si
Molecular Weight407.60 g/mol
Exact Mass407.23
IUPAC Name[8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC12CCCC(CC1)N2CCCC1(c2ccc(F)cc2)OCCO1
InChIInChI=1S/C22H34FNO3Si/c1-28(2,3)27-21-12-4-6-20(11-14-21)24(21)15-5-13-22(25-16-17-26-22)18-7-9-19(23)10-8-18/h7-10,20H,4-6,11-17H2,1-3H3
InChIKeyMORZFWYRJYJLHH-UHFFFAOYSA-N
XLogP5.00
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane?
The IUPAC name of [8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane (CID 20513798) is [8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane?
The canonical SMILES for [8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane is C[Si](C)(C)OC12CCCC(CC1)N2CCCC1(c2ccc(F)cc2)OCCO1.
What is the InChIKey of [8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane?
The InChIKey is MORZFWYRJYJLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FNO3Si/c1-28(2,3)27-21-12-4-6-20(11-14-21)24(21)15-5-13-22(25-16-17-26-22)18-7-9-19(23)10-8-18/h7-10,20H,4-6,11-17H2,1-3H3.
What are the key properties of [8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane?
[8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane has a molecular weight of 407.60 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-8-azabicyclo[3.2.1]octan-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 20513798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).