tert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane

C8H17F3OSi — CID 91697408

IUPACtert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)F
InChIInChI=1S/C8H17F3OSi/c1-7(2,3)13(4,5)12-6-8(9,10)11/h6H2,1-5H3
InChIKeySXTLHVZNGHLKBQ-UHFFFAOYSA-N
MW214.30 g/mol
LogP3.57
Rot. Bonds2

About tert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane

tert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane (PubChem CID 91697408) has the molecular formula C8H17F3OSi and a molecular weight of 214.30 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane
PubChem CID91697408
Molecular FormulaC8H17F3OSi
Molecular Weight214.30 g/mol
Exact Mass214.10
IUPAC Nametert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)F
InChIInChI=1S/C8H17F3OSi/c1-7(2,3)13(4,5)12-6-8(9,10)11/h6H2,1-5H3
InChIKeySXTLHVZNGHLKBQ-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane (CID 91697408) is tert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane is CC(C)(C)[Si](C)(C)OCC(F)(F)F.
What is the InChIKey of tert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane?
The InChIKey is SXTLHVZNGHLKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3OSi/c1-7(2,3)13(4,5)12-6-8(9,10)11/h6H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane?
tert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane has a molecular weight of 214.30 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2,2,2-trifluoroethoxy)silane is sourced from PubChem (CID 91697408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).