trichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

C6H4Cl3F9Si — CID 11811026

IUPACtrichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C6H4Cl3F9Si/c7-19(8,9)2-1-3(10,11)4(12,13)5(14,15)6(16,17)18/h1-2H2
InChIKeyZCVOUFBEEYGNOL-UHFFFAOYSA-N
MW381.53 g/mol
LogP5.50
Rot. Bonds5

About trichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

trichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane (PubChem CID 11811026) has the molecular formula C6H4Cl3F9Si and a molecular weight of 381.53 g/mol. Its IUPAC name is trichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane.

Molecular Properties

Compound Nametrichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
PubChem CID11811026
Molecular FormulaC6H4Cl3F9Si
Molecular Weight381.53 g/mol
Exact Mass379.90
IUPAC Nametrichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl
InChIInChI=1S/C6H4Cl3F9Si/c7-19(8,9)2-1-3(10,11)4(12,13)5(14,15)6(16,17)18/h1-2H2
InChIKeyZCVOUFBEEYGNOL-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.53
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The IUPAC name of trichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane (CID 11811026) is trichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane.
What is the SMILES notation for trichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The canonical SMILES for trichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The InChIKey is ZCVOUFBEEYGNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3F9Si/c7-19(8,9)2-1-3(10,11)4(12,13)5(14,15)6(16,17)18/h1-2H2.
What are the key properties of trichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
trichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane has a molecular weight of 381.53 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane is sourced from PubChem (CID 11811026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).