(3,5-ditert-butylphenyl)-fluoro-dimethylsilane

C16H27FSi — CID 68532658

IUPAC(3,5-ditert-butylphenyl)-fluoro-dimethylsilane
SMILESCC(C)(C)c1cc(C(C)(C)C)cc([Si](C)(C)F)c1
InChIInChI=1S/C16H27FSi/c1-15(2,3)12-9-13(16(4,5)6)11-14(10-12)18(7,8)17/h9-11H,1-8H3
InChIKeyFLJGHVAPODSHKN-UHFFFAOYSA-N
MW266.48 g/mol
LogP4.66
Rot. Bonds1

About (3,5-ditert-butylphenyl)-fluoro-dimethylsilane

(3,5-ditert-butylphenyl)-fluoro-dimethylsilane (PubChem CID 68532658) has the molecular formula C16H27FSi and a molecular weight of 266.48 g/mol. Its IUPAC name is (3,5-ditert-butylphenyl)-fluoro-dimethylsilane.

Molecular Properties

Compound Name(3,5-ditert-butylphenyl)-fluoro-dimethylsilane
PubChem CID68532658
Molecular FormulaC16H27FSi
Molecular Weight266.48 g/mol
Exact Mass266.19
IUPAC Name(3,5-ditert-butylphenyl)-fluoro-dimethylsilane
SMILESCC(C)(C)c1cc(C(C)(C)C)cc([Si](C)(C)F)c1
InChIInChI=1S/C16H27FSi/c1-15(2,3)12-9-13(16(4,5)6)11-14(10-12)18(7,8)17/h9-11H,1-8H3
InChIKeyFLJGHVAPODSHKN-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.48
LogP ≤ 54.66
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 (3,5-ditert-butylphenyl)-fluoro-dimethylsilane?
The IUPAC name of (3,5-ditert-butylphenyl)-fluoro-dimethylsilane (CID 68532658) is (3,5-ditert-butylphenyl)-fluoro-dimethylsilane.
What is the SMILES notation for (3,5-ditert-butylphenyl)-fluoro-dimethylsilane?
The canonical SMILES for (3,5-ditert-butylphenyl)-fluoro-dimethylsilane is CC(C)(C)c1cc(C(C)(C)C)cc([Si](C)(C)F)c1.
What is the InChIKey of (3,5-ditert-butylphenyl)-fluoro-dimethylsilane?
The InChIKey is FLJGHVAPODSHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FSi/c1-15(2,3)12-9-13(16(4,5)6)11-14(10-12)18(7,8)17/h9-11H,1-8H3.
What are the key properties of (3,5-ditert-butylphenyl)-fluoro-dimethylsilane?
(3,5-ditert-butylphenyl)-fluoro-dimethylsilane has a molecular weight of 266.48 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butylphenyl)-fluoro-dimethylsilane is sourced from PubChem (CID 68532658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).