[3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane

C15H20F6O3Si — CID 90170465

IUPAC[3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane
SMILESCCO[Si](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(OCC)OCC
InChIInChI=1S/C15H20F6O3Si/c1-4-22-25(23-5-2,24-6-3)10-11-7-12(14(16,17)18)9-13(8-11)15(19,20)21/h7-9H,4-6,10H2,1-3H3
InChIKeyHFYZINKOHIGBOW-UHFFFAOYSA-N
MW390.40 g/mol
LogP4.85
Rot. Bonds8

About [3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane

[3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane (PubChem CID 90170465) has the molecular formula C15H20F6O3Si and a molecular weight of 390.40 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane
PubChem CID90170465
Molecular FormulaC15H20F6O3Si
Molecular Weight390.40 g/mol
Exact Mass390.11
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane
SMILESCCO[Si](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(OCC)OCC
InChIInChI=1S/C15H20F6O3Si/c1-4-22-25(23-5-2,24-6-3)10-11-7-12(14(16,17)18)9-13(8-11)15(19,20)21/h7-9H,4-6,10H2,1-3H3
InChIKeyHFYZINKOHIGBOW-UHFFFAOYSA-N
XLogP4.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane (CID 90170465) is [3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane is CCO[Si](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(OCC)OCC.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane?
The InChIKey is HFYZINKOHIGBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F6O3Si/c1-4-22-25(23-5-2,24-6-3)10-11-7-12(14(16,17)18)9-13(8-11)15(19,20)21/h7-9H,4-6,10H2,1-3H3.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane?
[3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane has a molecular weight of 390.40 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]methyl-triethoxysilane is sourced from PubChem (CID 90170465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).