tritert-butyl(fluoro)silane

C12H27FSi — CID 13296378

IUPACtritert-butyl(fluoro)silane
SMILESCC(C)(C)[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27FSi/c1-10(2,3)14(13,11(4,5)6)12(7,8)9/h1-9H3
InChIKeyNVCWINRAUPYMBC-UHFFFAOYSA-N
MW218.43 g/mol
LogP5.30
Rot. Bonds

About tritert-butyl(fluoro)silane

tritert-butyl(fluoro)silane (PubChem CID 13296378) has the molecular formula C12H27FSi and a molecular weight of 218.43 g/mol. Its IUPAC name is tritert-butyl(fluoro)silane.

Molecular Properties

Compound Nametritert-butyl(fluoro)silane
PubChem CID13296378
Molecular FormulaC12H27FSi
Molecular Weight218.43 g/mol
Exact Mass218.19
IUPAC Nametritert-butyl(fluoro)silane
SMILESCC(C)(C)[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H27FSi/c1-10(2,3)14(13,11(4,5)6)12(7,8)9/h1-9H3
InChIKeyNVCWINRAUPYMBC-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.43
LogP ≤ 55.30
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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Related Compounds

Silane, bis(1,1-dimethylethyl)-
CID 2758052
Di-t-butyldifluorosilane
CID 11275379
Tributyl(fluoro)silane
CID 238539
Fluorotripropylsilane
CID 23235506
Tri-t-butylsilane
CID 6394122
Tri-isopropylfluorosilane
CID 12639596
Sodium tri-tert-butylsilicate(1-)
CID 13329819
Ditert-butyl-ethynyl-fluorosilane
CID 72704291
Di-tert-Butylsilane
CID 6365032
Ditert-butyl(fluoro)silane
CID 71444727
Tritert-butyl(trifluoromethyl)silane
CID 134893163
Tri-tert-butyl(iodo)silane
CID 12456241

Frequently Asked Questions

What is the IUPAC name of tritert-butyl(fluoro)silane?
The IUPAC name of tritert-butyl(fluoro)silane (CID 13296378) is tritert-butyl(fluoro)silane.
What is the SMILES notation for tritert-butyl(fluoro)silane?
The canonical SMILES for tritert-butyl(fluoro)silane is CC(C)(C)[Si](F)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of tritert-butyl(fluoro)silane?
The InChIKey is NVCWINRAUPYMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27FSi/c1-10(2,3)14(13,11(4,5)6)12(7,8)9/h1-9H3.
What are the key properties of tritert-butyl(fluoro)silane?
tritert-butyl(fluoro)silane has a molecular weight of 218.43 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butyl(fluoro)silane is sourced from PubChem (CID 13296378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).