trimethoxy(6,6,6-trifluorohexyl)silane

C9H19F3O3Si — CID 23001897

IUPACtrimethoxy(6,6,6-trifluorohexyl)silane
SMILESCO[Si](CCCCCC(F)(F)F)(OC)OC
InChIInChI=1S/C9H19F3O3Si/c1-13-16(14-2,15-3)8-6-4-5-7-9(10,11)12/h4-8H2,1-3H3
InChIKeyCERVGQPARMTDQC-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.99
Rot. Bonds8

About trimethoxy(6,6,6-trifluorohexyl)silane

trimethoxy(6,6,6-trifluorohexyl)silane (PubChem CID 23001897) has the molecular formula C9H19F3O3Si and a molecular weight of 260.33 g/mol. Its IUPAC name is trimethoxy(6,6,6-trifluorohexyl)silane.

Molecular Properties

Compound Nametrimethoxy(6,6,6-trifluorohexyl)silane
PubChem CID23001897
Molecular FormulaC9H19F3O3Si
Molecular Weight260.33 g/mol
Exact Mass260.11
IUPAC Nametrimethoxy(6,6,6-trifluorohexyl)silane
SMILESCO[Si](CCCCCC(F)(F)F)(OC)OC
InChIInChI=1S/C9H19F3O3Si/c1-13-16(14-2,15-3)8-6-4-5-7-9(10,11)12/h4-8H2,1-3H3
InChIKeyCERVGQPARMTDQC-UHFFFAOYSA-N
XLogP2.99
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxy(6,6,6-trifluorohexyl)silane?
The IUPAC name of trimethoxy(6,6,6-trifluorohexyl)silane (CID 23001897) is trimethoxy(6,6,6-trifluorohexyl)silane.
What is the SMILES notation for trimethoxy(6,6,6-trifluorohexyl)silane?
The canonical SMILES for trimethoxy(6,6,6-trifluorohexyl)silane is CO[Si](CCCCCC(F)(F)F)(OC)OC.
What is the InChIKey of trimethoxy(6,6,6-trifluorohexyl)silane?
The InChIKey is CERVGQPARMTDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3O3Si/c1-13-16(14-2,15-3)8-6-4-5-7-9(10,11)12/h4-8H2,1-3H3.
What are the key properties of trimethoxy(6,6,6-trifluorohexyl)silane?
trimethoxy(6,6,6-trifluorohexyl)silane has a molecular weight of 260.33 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(6,6,6-trifluorohexyl)silane is sourced from PubChem (CID 23001897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).