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

C10H19F3OSi — CID 67706266

IUPAC2,6-dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane
SMILESCC1CCC[Si](C)(C(C)CC(F)(F)F)O1
InChIInChI=1S/C10H19F3OSi/c1-8-5-4-6-15(3,14-8)9(2)7-10(11,12)13/h8-9H,4-7H2,1-3H3
InChIKeyIXNIFXYTSJAPTC-UHFFFAOYSA-N
MW240.34 g/mol
LogP4.10
Rot. Bonds2

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

2,6-dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane (PubChem CID 67706266) has the molecular formula C10H19F3OSi and a molecular weight of 240.34 g/mol. Its IUPAC name is 2,6-dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane.

Molecular Properties

Compound Name2,6-dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane
PubChem CID67706266
Molecular FormulaC10H19F3OSi
Molecular Weight240.34 g/mol
Exact Mass240.12
IUPAC Name2,6-dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane
SMILESCC1CCC[Si](C)(C(C)CC(F)(F)F)O1
InChIInChI=1S/C10H19F3OSi/c1-8-5-4-6-15(3,14-8)9(2)7-10(11,12)13/h8-9H,4-7H2,1-3H3
InChIKeyIXNIFXYTSJAPTC-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
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 2,6-dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane?
The IUPAC name of 2,6-dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane (CID 67706266) is 2,6-dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane.
What is the SMILES notation for 2,6-dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane?
The canonical SMILES for 2,6-dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane is CC1CCC[Si](C)(C(C)CC(F)(F)F)O1.
What is the InChIKey of 2,6-dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane?
The InChIKey is IXNIFXYTSJAPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3OSi/c1-8-5-4-6-15(3,14-8)9(2)7-10(11,12)13/h8-9H,4-7H2,1-3H3.
What are the key properties of 2,6-dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane?
2,6-dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane has a molecular weight of 240.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-(4,4,4-trifluorobutan-2-yl)oxasilinane is sourced from PubChem (CID 67706266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).