2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane

C10H19F3OSi — CID 67839746

IUPAC2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane
SMILESCC(CC(F)(F)F)C1CCC[Si](C)(C)O1
InChIInChI=1S/C10H19F3OSi/c1-8(7-10(11,12)13)9-5-4-6-15(2,3)14-9/h8-9H,4-7H2,1-3H3
InChIKeySOUMTZFFVYXYKZ-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.96
Rot. Bonds2

About 2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane

2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane (PubChem CID 67839746) has the molecular formula C10H19F3OSi and a molecular weight of 240.34 g/mol. Its IUPAC name is 2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane.

Molecular Properties

Compound Name2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane
PubChem CID67839746
Molecular FormulaC10H19F3OSi
Molecular Weight240.34 g/mol
Exact Mass240.12
IUPAC Name2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane
SMILESCC(CC(F)(F)F)C1CCC[Si](C)(C)O1
InChIInChI=1S/C10H19F3OSi/c1-8(7-10(11,12)13)9-5-4-6-15(2,3)14-9/h8-9H,4-7H2,1-3H3
InChIKeySOUMTZFFVYXYKZ-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.96
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 2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane?
The IUPAC name of 2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane (CID 67839746) is 2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane.
What is the SMILES notation for 2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane?
The canonical SMILES for 2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane is CC(CC(F)(F)F)C1CCC[Si](C)(C)O1.
What is the InChIKey of 2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane?
The InChIKey is SOUMTZFFVYXYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3OSi/c1-8(7-10(11,12)13)9-5-4-6-15(2,3)14-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane?
2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane has a molecular weight of 240.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(4,4,4-trifluorobutan-2-yl)oxasilinane is sourced from PubChem (CID 67839746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).