nonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane

C24H33F3O2Si — CID 91733045

IUPACnonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCCCCCCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33F3O2Si/c1-3-4-5-6-7-8-15-20-28-30(22-16-11-9-12-17-22,23-18-13-10-14-19-23)29-21(2)24(25,26)27/h9-14,16-19,21H,3-8,15,20H2,1-2H3
InChIKeyGHWLRSMRPGXCED-UHFFFAOYSA-N
MW438.61 g/mol
LogP5.98
Rot. Bonds13

About nonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane

nonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane (PubChem CID 91733045) has the molecular formula C24H33F3O2Si and a molecular weight of 438.61 g/mol. Its IUPAC name is nonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane.

Molecular Properties

Compound Namenonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
PubChem CID91733045
Molecular FormulaC24H33F3O2Si
Molecular Weight438.61 g/mol
Exact Mass438.22
IUPAC Namenonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCCCCCCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33F3O2Si/c1-3-4-5-6-7-8-15-20-28-30(22-16-11-9-12-17-22,23-18-13-10-14-19-23)29-21(2)24(25,26)27/h9-14,16-19,21H,3-8,15,20H2,1-2H3
InChIKeyGHWLRSMRPGXCED-UHFFFAOYSA-N
XLogP5.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 nonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The IUPAC name of nonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane (CID 91733045) is nonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane.
What is the SMILES notation for nonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The canonical SMILES for nonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane is CCCCCCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of nonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The InChIKey is GHWLRSMRPGXCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F3O2Si/c1-3-4-5-6-7-8-15-20-28-30(22-16-11-9-12-17-22,23-18-13-10-14-19-23)29-21(2)24(25,26)27/h9-14,16-19,21H,3-8,15,20H2,1-2H3.
What are the key properties of nonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
nonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane has a molecular weight of 438.61 g/mol, XLogP of 5.98, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane is sourced from PubChem (CID 91733045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).