trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane

C12H17F3O3Si — CID 90174592

IUPACtrihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
SMILESO[Si](O)(O)CCCCCCc1c(F)cc(F)cc1F
InChIInChI=1S/C12H17F3O3Si/c13-9-7-11(14)10(12(15)8-9)5-3-1-2-4-6-19(16,17)18/h7-8,16-18H,1-6H2
InChIKeyFFJSEGWVMLBSFD-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.12
Rot. Bonds7

About trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane

trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane (PubChem CID 90174592) has the molecular formula C12H17F3O3Si and a molecular weight of 294.34 g/mol. Its IUPAC name is trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane.

Molecular Properties

Compound Nametrihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
PubChem CID90174592
Molecular FormulaC12H17F3O3Si
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Nametrihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
SMILESO[Si](O)(O)CCCCCCc1c(F)cc(F)cc1F
InChIInChI=1S/C12H17F3O3Si/c13-9-7-11(14)10(12(15)8-9)5-3-1-2-4-6-19(16,17)18/h7-8,16-18H,1-6H2
InChIKeyFFJSEGWVMLBSFD-UHFFFAOYSA-N
XLogP2.12
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.12
H-Bond Donors ≤ 53
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 trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane?
The IUPAC name of trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane (CID 90174592) is trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane.
What is the SMILES notation for trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane?
The canonical SMILES for trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane is O[Si](O)(O)CCCCCCc1c(F)cc(F)cc1F.
What is the InChIKey of trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane?
The InChIKey is FFJSEGWVMLBSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3O3Si/c13-9-7-11(14)10(12(15)8-9)5-3-1-2-4-6-19(16,17)18/h7-8,16-18H,1-6H2.
What are the key properties of trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane?
trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane has a molecular weight of 294.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane is sourced from PubChem (CID 90174592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).