4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane

C4H13FO3Si3 — CID 173203649

IUPAC4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane
SMILESCCC[Si]1(C)O[SiH2]O[SiH](F)O1
InChIInChI=1S/C4H13FO3Si3/c1-3-4-11(2)7-9-6-10(5)8-11/h10H,3-4,9H2,1-2H3
InChIKeyIPKWBZGLNBJIBR-UHFFFAOYSA-N
MW212.40 g/mol
LogP0.22
Rot. Bonds2

About 4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane

4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 173203649) has the molecular formula C4H13FO3Si3 and a molecular weight of 212.40 g/mol. Its IUPAC name is 4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane
PubChem CID173203649
Molecular FormulaC4H13FO3Si3
Molecular Weight212.40 g/mol
Exact Mass212.02
IUPAC Name4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane
SMILESCCC[Si]1(C)O[SiH2]O[SiH](F)O1
InChIInChI=1S/C4H13FO3Si3/c1-3-4-11(2)7-9-6-10(5)8-11/h10H,3-4,9H2,1-2H3
InChIKeyIPKWBZGLNBJIBR-UHFFFAOYSA-N
XLogP0.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane (CID 173203649) is 4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane is CCC[Si]1(C)O[SiH2]O[SiH](F)O1.
What is the InChIKey of 4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is IPKWBZGLNBJIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13FO3Si3/c1-3-4-11(2)7-9-6-10(5)8-11/h10H,3-4,9H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane?
4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 212.40 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-2-propyl-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 173203649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).