tritert-butyl(1,1,2,2,2-pentafluoroethyl)silane

C14H27F5Si — CID 134871832

IUPACtritert-butyl(1,1,2,2,2-pentafluoroethyl)silane
SMILESCC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H27F5Si/c1-10(2,3)20(11(4,5)6,12(7,8)9)14(18,19)13(15,16)17/h1-9H3
InChIKeyRNLMCIDVJVXGAE-UHFFFAOYSA-N
MW318.45 g/mol
LogP6.57
Rot. Bonds1

About tritert-butyl(1,1,2,2,2-pentafluoroethyl)silane

tritert-butyl(1,1,2,2,2-pentafluoroethyl)silane (PubChem CID 134871832) has the molecular formula C14H27F5Si and a molecular weight of 318.45 g/mol. Its IUPAC name is tritert-butyl(1,1,2,2,2-pentafluoroethyl)silane.

Molecular Properties

Compound Nametritert-butyl(1,1,2,2,2-pentafluoroethyl)silane
PubChem CID134871832
Molecular FormulaC14H27F5Si
Molecular Weight318.45 g/mol
Exact Mass318.18
IUPAC Nametritert-butyl(1,1,2,2,2-pentafluoroethyl)silane
SMILESCC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H27F5Si/c1-10(2,3)20(11(4,5)6,12(7,8)9)14(18,19)13(15,16)17/h1-9H3
InChIKeyRNLMCIDVJVXGAE-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.45
LogP ≤ 56.57
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(1,1,2,2,2-pentafluoroethyl)silane?
The IUPAC name of tritert-butyl(1,1,2,2,2-pentafluoroethyl)silane (CID 134871832) is tritert-butyl(1,1,2,2,2-pentafluoroethyl)silane.
What is the SMILES notation for tritert-butyl(1,1,2,2,2-pentafluoroethyl)silane?
The canonical SMILES for tritert-butyl(1,1,2,2,2-pentafluoroethyl)silane is CC(C)(C)[Si](C(C)(C)C)(C(C)(C)C)C(F)(F)C(F)(F)F.
What is the InChIKey of tritert-butyl(1,1,2,2,2-pentafluoroethyl)silane?
The InChIKey is RNLMCIDVJVXGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F5Si/c1-10(2,3)20(11(4,5)6,12(7,8)9)14(18,19)13(15,16)17/h1-9H3.
What are the key properties of tritert-butyl(1,1,2,2,2-pentafluoroethyl)silane?
tritert-butyl(1,1,2,2,2-pentafluoroethyl)silane has a molecular weight of 318.45 g/mol, XLogP of 6.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tritert-butyl(1,1,2,2,2-pentafluoroethyl)silane is sourced from PubChem (CID 134871832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).