[1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane

C25H34F3NOSi — CID 68914524

IUPAC[1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CN(Cc2ccccc2)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H34F3NOSi/c1-24(2,3)31(4,5)30-18-21-16-29(15-19-10-7-6-8-11-19)17-23(21)20-12-9-13-22(14-20)25(26,27)28/h6-14,21,23H,15-18H2,1-5H3
InChIKeySURYTKUJYUSSKK-UHFFFAOYSA-N
MW449.63 g/mol
LogP6.94
Rot. Bonds6

About [1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane

[1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 68914524) has the molecular formula C25H34F3NOSi and a molecular weight of 449.63 g/mol. Its IUPAC name is [1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID68914524
Molecular FormulaC25H34F3NOSi
Molecular Weight449.63 g/mol
Exact Mass449.24
IUPAC Name[1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CN(Cc2ccccc2)CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H34F3NOSi/c1-24(2,3)31(4,5)30-18-21-16-29(15-19-10-7-6-8-11-19)17-23(21)20-12-9-13-22(14-20)25(26,27)28/h6-14,21,23H,15-18H2,1-5H3
InChIKeySURYTKUJYUSSKK-UHFFFAOYSA-N
XLogP6.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.63
LogP ≤ 56.94
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 [1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane (CID 68914524) is [1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1CN(Cc2ccccc2)CC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of [1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is SURYTKUJYUSSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F3NOSi/c1-24(2,3)31(4,5)30-18-21-16-29(15-19-10-7-6-8-11-19)17-23(21)20-12-9-13-22(14-20)25(26,27)28/h6-14,21,23H,15-18H2,1-5H3.
What are the key properties of [1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane?
[1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 449.63 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 68914524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).