2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane

C12H27F2NSi — CID 11747098

IUPAC2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane
SMILESCC(C)(C)[Si](N(F)F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27F2NSi/c1-10(2,3)16(15(13)14,11(4,5)6)12(7,8)9/h1-9H3
InChIKeyUGPSTRJDJCTNEV-UHFFFAOYSA-N
MW251.44 g/mol
LogP5.40
Rot. Bonds1

About 2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane

2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane (PubChem CID 11747098) has the molecular formula C12H27F2NSi and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane.

Molecular Properties

Compound Name2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane
PubChem CID11747098
Molecular FormulaC12H27F2NSi
Molecular Weight251.44 g/mol
Exact Mass251.19
IUPAC Name2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane
SMILESCC(C)(C)[Si](N(F)F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27F2NSi/c1-10(2,3)16(15(13)14,11(4,5)6)12(7,8)9/h1-9H3
InChIKeyUGPSTRJDJCTNEV-UHFFFAOYSA-N
XLogP5.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.44
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane?
The IUPAC name of 2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane (CID 11747098) is 2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane.
What is the SMILES notation for 2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane?
The canonical SMILES for 2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane is CC(C)(C)[Si](N(F)F)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane?
The InChIKey is UGPSTRJDJCTNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27F2NSi/c1-10(2,3)16(15(13)14,11(4,5)6)12(7,8)9/h1-9H3.
What are the key properties of 2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane?
2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane has a molecular weight of 251.44 g/mol, XLogP of 5.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ditert-butyl-(difluoroamino)silyl]-2-methylpropane is sourced from PubChem (CID 11747098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).