4-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane

C12H28F2Si2 — CID 87143790

IUPAC4-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane
SMILESCC[Si](F)(CC)CCCC[Si](F)(CC)CC
InChIInChI=1S/C12H28F2Si2/c1-5-15(13,6-2)11-9-10-12-16(14,7-3)8-4/h5-12H2,1-4H3
InChIKeyWISRJXXDBQKMAR-UHFFFAOYSA-N
MW266.52 g/mol
LogP5.68
Rot. Bonds9

About 4-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane

4-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane (PubChem CID 87143790) has the molecular formula C12H28F2Si2 and a molecular weight of 266.52 g/mol. Its IUPAC name is 4-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane.

Molecular Properties

Compound Name4-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane
PubChem CID87143790
Molecular FormulaC12H28F2Si2
Molecular Weight266.52 g/mol
Exact Mass266.17
IUPAC Name4-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane
SMILESCC[Si](F)(CC)CCCC[Si](F)(CC)CC
InChIInChI=1S/C12H28F2Si2/c1-5-15(13,6-2)11-9-10-12-16(14,7-3)8-4/h5-12H2,1-4H3
InChIKeyWISRJXXDBQKMAR-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.52
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane?
The IUPAC name of 4-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane (CID 87143790) is 4-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane.
What is the SMILES notation for 4-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane?
The canonical SMILES for 4-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane is CC[Si](F)(CC)CCCC[Si](F)(CC)CC.
What is the InChIKey of 4-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane?
The InChIKey is WISRJXXDBQKMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28F2Si2/c1-5-15(13,6-2)11-9-10-12-16(14,7-3)8-4/h5-12H2,1-4H3.
What are the key properties of 4-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane?
4-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane has a molecular weight of 266.52 g/mol, XLogP of 5.68, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethyl(fluoro)silyl]butyl-diethyl-fluorosilane is sourced from PubChem (CID 87143790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).