3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane

C11H18F6O3Si — CID 175292169

IUPAC3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCC1(OC)C(F)(F)C(F)(F)C(F)(F)C[Si]1(OC)OC
InChIInChI=1S/C11H18F6O3Si/c1-5-6-9(18-2)11(16,17)10(14,15)8(12,13)7-21(9,19-3)20-4/h5-7H2,1-4H3
InChIKeyFUUPSBHGSSGLSR-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.37
Rot. Bonds5

About 3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane

3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane (PubChem CID 175292169) has the molecular formula C11H18F6O3Si and a molecular weight of 340.34 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane
PubChem CID175292169
Molecular FormulaC11H18F6O3Si
Molecular Weight340.34 g/mol
Exact Mass340.09
IUPAC Name3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane
SMILESCCCC1(OC)C(F)(F)C(F)(F)C(F)(F)C[Si]1(OC)OC
InChIInChI=1S/C11H18F6O3Si/c1-5-6-9(18-2)11(16,17)10(14,15)8(12,13)7-21(9,19-3)20-4/h5-7H2,1-4H3
InChIKeyFUUPSBHGSSGLSR-UHFFFAOYSA-N
XLogP3.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane (CID 175292169) is 3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane is CCCC1(OC)C(F)(F)C(F)(F)C(F)(F)C[Si]1(OC)OC.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane?
The InChIKey is FUUPSBHGSSGLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6O3Si/c1-5-6-9(18-2)11(16,17)10(14,15)8(12,13)7-21(9,19-3)20-4/h5-7H2,1-4H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane?
3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane has a molecular weight of 340.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1,1,2-trimethoxy-2-propylsilinane is sourced from PubChem (CID 175292169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).