1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene

C24H45F2NSi2 — CID 100969946

IUPAC1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene
SMILESCC(C)(C)c1cc(C(C)(C)C)c([Si](F)(F)N[Si](C)(C)C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C24H45F2NSi2/c1-21(2,3)17-15-18(22(4,5)6)20(19(16-17)23(7,8)9)29(25,26)27-28(13,14)24(10,11)12/h15-16,27H,1-14H3
InChIKeyHPCGJYXRNLHBIW-UHFFFAOYSA-N
MW441.80 g/mol
LogP7.26
Rot. Bonds3

About 1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene

1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene (PubChem CID 100969946) has the molecular formula C24H45F2NSi2 and a molecular weight of 441.80 g/mol. Its IUPAC name is 1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene.

Molecular Properties

Compound Name1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene
PubChem CID100969946
Molecular FormulaC24H45F2NSi2
Molecular Weight441.80 g/mol
Exact Mass441.31
IUPAC Name1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene
SMILESCC(C)(C)c1cc(C(C)(C)C)c([Si](F)(F)N[Si](C)(C)C(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C24H45F2NSi2/c1-21(2,3)17-15-18(22(4,5)6)20(19(16-17)23(7,8)9)29(25,26)27-28(13,14)24(10,11)12/h15-16,27H,1-14H3
InChIKeyHPCGJYXRNLHBIW-UHFFFAOYSA-N
XLogP7.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.80
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene?
The IUPAC name of 1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene (CID 100969946) is 1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene.
What is the SMILES notation for 1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene?
The canonical SMILES for 1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene is CC(C)(C)c1cc(C(C)(C)C)c([Si](F)(F)N[Si](C)(C)C(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene?
The InChIKey is HPCGJYXRNLHBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45F2NSi2/c1-21(2,3)17-15-18(22(4,5)6)20(19(16-17)23(7,8)9)29(25,26)27-28(13,14)24(10,11)12/h15-16,27H,1-14H3.
What are the key properties of 1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene?
1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene has a molecular weight of 441.80 g/mol, XLogP of 7.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tritert-butyl-2-[[[tert-butyl(dimethyl)silyl]amino]-difluorosilyl]benzene is sourced from PubChem (CID 100969946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).