tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane

C20H34FNOSi — CID 66691149

IUPACtert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)N1C[C@H](O[Si](C)(C)C(C)(C)C)CC1c1cccc(F)c1
InChIInChI=1S/C20H34FNOSi/c1-19(2,3)22-14-17(23-24(7,8)20(4,5)6)13-18(22)15-10-9-11-16(21)12-15/h9-12,17-18H,13-14H2,1-8H3/t17-,18?/m1/s1
InChIKeyVRXLJUBWELRJFN-QNSVNVJESA-N
MW351.58 g/mol
LogP5.76
Rot. Bonds3

About tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane

tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane (PubChem CID 66691149) has the molecular formula C20H34FNOSi and a molecular weight of 351.58 g/mol. Its IUPAC name is tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
PubChem CID66691149
Molecular FormulaC20H34FNOSi
Molecular Weight351.58 g/mol
Exact Mass351.24
IUPAC Nametert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)N1C[C@H](O[Si](C)(C)C(C)(C)C)CC1c1cccc(F)c1
InChIInChI=1S/C20H34FNOSi/c1-19(2,3)22-14-17(23-24(7,8)20(4,5)6)13-18(22)15-10-9-11-16(21)12-15/h9-12,17-18H,13-14H2,1-8H3/t17-,18?/m1/s1
InChIKeyVRXLJUBWELRJFN-QNSVNVJESA-N
XLogP5.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane (CID 66691149) is tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane is CC(C)(C)N1C[C@H](O[Si](C)(C)C(C)(C)C)CC1c1cccc(F)c1.
What is the InChIKey of tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
The InChIKey is VRXLJUBWELRJFN-QNSVNVJESA-N. The full InChI is InChI=1S/C20H34FNOSi/c1-19(2,3)22-14-17(23-24(7,8)20(4,5)6)13-18(22)15-10-9-11-16(21)12-15/h9-12,17-18H,13-14H2,1-8H3/t17-,18?/m1/s1.
What are the key properties of tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane has a molecular weight of 351.58 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-1-tert-butyl-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 66691149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).