tert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane

C9H17F5OSi — CID 91697432

IUPACtert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H17F5OSi/c1-7(2,3)16(4,5)15-6-8(10,11)9(12,13)14/h6H2,1-5H3
InChIKeyNNNVVQXYQANYKC-UHFFFAOYSA-N
MW264.31 g/mol
LogP4.21
Rot. Bonds3

About tert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane

tert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane (PubChem CID 91697432) has the molecular formula C9H17F5OSi and a molecular weight of 264.31 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane
PubChem CID91697432
Molecular FormulaC9H17F5OSi
Molecular Weight264.31 g/mol
Exact Mass264.10
IUPAC Nametert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H17F5OSi/c1-7(2,3)16(4,5)15-6-8(10,11)9(12,13)14/h6H2,1-5H3
InChIKeyNNNVVQXYQANYKC-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 tert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane (CID 91697432) is tert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane is CC(C)(C)[Si](C)(C)OCC(F)(F)C(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane?
The InChIKey is NNNVVQXYQANYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F5OSi/c1-7(2,3)16(4,5)15-6-8(10,11)9(12,13)14/h6H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane?
tert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane has a molecular weight of 264.31 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2,2,3,3,3-pentafluoropropoxy)silane is sourced from PubChem (CID 91697432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).