tritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane

C15H27F7Si — CID 134871892

IUPACtritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane
SMILESCC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H27F7Si/c1-10(2,3)23(11(4,5)6,12(7,8)9)15(21,22)13(16,17)14(18,19)20/h1-9H3
InChIKeyJUPKPQXVAHEXJI-UHFFFAOYSA-N
MW368.45 g/mol
LogP7.21
Rot. Bonds2

About tritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane

tritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane (PubChem CID 134871892) has the molecular formula C15H27F7Si and a molecular weight of 368.45 g/mol. Its IUPAC name is tritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane.

Molecular Properties

Compound Nametritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane
PubChem CID134871892
Molecular FormulaC15H27F7Si
Molecular Weight368.45 g/mol
Exact Mass368.18
IUPAC Nametritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane
SMILESCC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H27F7Si/c1-10(2,3)23(11(4,5)6,12(7,8)9)15(21,22)13(16,17)14(18,19)20/h1-9H3
InChIKeyJUPKPQXVAHEXJI-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.45
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane?
The IUPAC name of tritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane (CID 134871892) is tritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane.
What is the SMILES notation for tritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane?
The canonical SMILES for tritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane is CC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of tritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane?
The InChIKey is JUPKPQXVAHEXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F7Si/c1-10(2,3)23(11(4,5)6,12(7,8)9)15(21,22)13(16,17)14(18,19)20/h1-9H3.
What are the key properties of tritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane?
tritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane has a molecular weight of 368.45 g/mol, XLogP of 7.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butyl(1,1,2,2,3,3,3-heptafluoropropyl)silane is sourced from PubChem (CID 134871892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).