difluoro-methyl-(2,4,6-tritert-butylphenyl)silane

C19H32F2Si — CID 13449381

IUPACdifluoro-methyl-(2,4,6-tritert-butylphenyl)silane
SMILESCC(C)(C)c1cc(C(C)(C)C)c([Si](C)(F)F)c(C(C)(C)C)c1
InChIInChI=1S/C19H32F2Si/c1-17(2,3)13-11-14(18(4,5)6)16(22(10,20)21)15(12-13)19(7,8)9/h11-12H,1-10H3
InChIKeyPNHOHXUAISPGBF-UHFFFAOYSA-N
MW326.55 g/mol
LogP5.80
Rot. Bonds1

About difluoro-methyl-(2,4,6-tritert-butylphenyl)silane

difluoro-methyl-(2,4,6-tritert-butylphenyl)silane (PubChem CID 13449381) has the molecular formula C19H32F2Si and a molecular weight of 326.55 g/mol. Its IUPAC name is difluoro-methyl-(2,4,6-tritert-butylphenyl)silane.

Molecular Properties

Compound Namedifluoro-methyl-(2,4,6-tritert-butylphenyl)silane
PubChem CID13449381
Molecular FormulaC19H32F2Si
Molecular Weight326.55 g/mol
Exact Mass326.22
IUPAC Namedifluoro-methyl-(2,4,6-tritert-butylphenyl)silane
SMILESCC(C)(C)c1cc(C(C)(C)C)c([Si](C)(F)F)c(C(C)(C)C)c1
InChIInChI=1S/C19H32F2Si/c1-17(2,3)13-11-14(18(4,5)6)16(22(10,20)21)15(12-13)19(7,8)9/h11-12H,1-10H3
InChIKeyPNHOHXUAISPGBF-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.55
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 difluoro-methyl-(2,4,6-tritert-butylphenyl)silane?
The IUPAC name of difluoro-methyl-(2,4,6-tritert-butylphenyl)silane (CID 13449381) is difluoro-methyl-(2,4,6-tritert-butylphenyl)silane.
What is the SMILES notation for difluoro-methyl-(2,4,6-tritert-butylphenyl)silane?
The canonical SMILES for difluoro-methyl-(2,4,6-tritert-butylphenyl)silane is CC(C)(C)c1cc(C(C)(C)C)c([Si](C)(F)F)c(C(C)(C)C)c1.
What is the InChIKey of difluoro-methyl-(2,4,6-tritert-butylphenyl)silane?
The InChIKey is PNHOHXUAISPGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2Si/c1-17(2,3)13-11-14(18(4,5)6)16(22(10,20)21)15(12-13)19(7,8)9/h11-12H,1-10H3.
What are the key properties of difluoro-methyl-(2,4,6-tritert-butylphenyl)silane?
difluoro-methyl-(2,4,6-tritert-butylphenyl)silane has a molecular weight of 326.55 g/mol, XLogP of 5.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-methyl-(2,4,6-tritert-butylphenyl)silane is sourced from PubChem (CID 13449381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).