trimethoxy(1,1,1-trifluorobutan-2-yl)silane

C7H15F3O3Si — CID 18417922

IUPACtrimethoxy(1,1,1-trifluorobutan-2-yl)silane
SMILESCCC(C(F)(F)F)[Si](OC)(OC)OC
InChIInChI=1S/C7H15F3O3Si/c1-5-6(7(8,9)10)14(11-2,12-3)13-4/h6H,5H2,1-4H3
InChIKeyYPLXELNMPVKOEE-UHFFFAOYSA-N
MW232.27 g/mol
LogP2.21
Rot. Bonds5

About trimethoxy(1,1,1-trifluorobutan-2-yl)silane

trimethoxy(1,1,1-trifluorobutan-2-yl)silane (PubChem CID 18417922) has the molecular formula C7H15F3O3Si and a molecular weight of 232.27 g/mol. Its IUPAC name is trimethoxy(1,1,1-trifluorobutan-2-yl)silane.

Molecular Properties

Compound Nametrimethoxy(1,1,1-trifluorobutan-2-yl)silane
PubChem CID18417922
Molecular FormulaC7H15F3O3Si
Molecular Weight232.27 g/mol
Exact Mass232.07
IUPAC Nametrimethoxy(1,1,1-trifluorobutan-2-yl)silane
SMILESCCC(C(F)(F)F)[Si](OC)(OC)OC
InChIInChI=1S/C7H15F3O3Si/c1-5-6(7(8,9)10)14(11-2,12-3)13-4/h6H,5H2,1-4H3
InChIKeyYPLXELNMPVKOEE-UHFFFAOYSA-N
XLogP2.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 trimethoxy(1,1,1-trifluorobutan-2-yl)silane?
The IUPAC name of trimethoxy(1,1,1-trifluorobutan-2-yl)silane (CID 18417922) is trimethoxy(1,1,1-trifluorobutan-2-yl)silane.
What is the SMILES notation for trimethoxy(1,1,1-trifluorobutan-2-yl)silane?
The canonical SMILES for trimethoxy(1,1,1-trifluorobutan-2-yl)silane is CCC(C(F)(F)F)[Si](OC)(OC)OC.
What is the InChIKey of trimethoxy(1,1,1-trifluorobutan-2-yl)silane?
The InChIKey is YPLXELNMPVKOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3O3Si/c1-5-6(7(8,9)10)14(11-2,12-3)13-4/h6H,5H2,1-4H3.
What are the key properties of trimethoxy(1,1,1-trifluorobutan-2-yl)silane?
trimethoxy(1,1,1-trifluorobutan-2-yl)silane has a molecular weight of 232.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(1,1,1-trifluorobutan-2-yl)silane is sourced from PubChem (CID 18417922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).