dimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane

C7H15F3O2Si — CID 19900037

IUPACdimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane
SMILESCO[Si](C)(OC)C(C)CC(F)(F)F
InChIInChI=1S/C7H15F3O2Si/c1-6(5-7(8,9)10)13(4,11-2)12-3/h6H,5H2,1-4H3
InChIKeyYJECYHIMDKTZCA-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.69
Rot. Bonds4

About dimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane

dimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane (PubChem CID 19900037) has the molecular formula C7H15F3O2Si and a molecular weight of 216.27 g/mol. Its IUPAC name is dimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane.

Molecular Properties

Compound Namedimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane
PubChem CID19900037
Molecular FormulaC7H15F3O2Si
Molecular Weight216.27 g/mol
Exact Mass216.08
IUPAC Namedimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane
SMILESCO[Si](C)(OC)C(C)CC(F)(F)F
InChIInChI=1S/C7H15F3O2Si/c1-6(5-7(8,9)10)13(4,11-2)12-3/h6H,5H2,1-4H3
InChIKeyYJECYHIMDKTZCA-UHFFFAOYSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane?
The IUPAC name of dimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane (CID 19900037) is dimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane.
What is the SMILES notation for dimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane?
The canonical SMILES for dimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane is CO[Si](C)(OC)C(C)CC(F)(F)F.
What is the InChIKey of dimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane?
The InChIKey is YJECYHIMDKTZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3O2Si/c1-6(5-7(8,9)10)13(4,11-2)12-3/h6H,5H2,1-4H3.
What are the key properties of dimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane?
dimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane has a molecular weight of 216.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-methyl-(4,4,4-trifluorobutan-2-yl)silane is sourced from PubChem (CID 19900037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).