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

C25H35F3O2Si — CID 91733074

IUPACdecoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCCCCCCCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35F3O2Si/c1-3-4-5-6-7-8-9-16-21-29-31(23-17-12-10-13-18-23,24-19-14-11-15-20-24)30-22(2)25(26,27)28/h10-15,17-20,22H,3-9,16,21H2,1-2H3
InChIKeyLXZLUBFXPQEVSA-UHFFFAOYSA-N
MW452.63 g/mol
LogP6.37
Rot. Bonds14

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

decoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane (PubChem CID 91733074) has the molecular formula C25H35F3O2Si and a molecular weight of 452.63 g/mol. Its IUPAC name is decoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane.

Molecular Properties

Compound Namedecoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
PubChem CID91733074
Molecular FormulaC25H35F3O2Si
Molecular Weight452.63 g/mol
Exact Mass452.24
IUPAC Namedecoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCCCCCCCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H35F3O2Si/c1-3-4-5-6-7-8-9-16-21-29-31(23-17-12-10-13-18-23,24-19-14-11-15-20-24)30-22(2)25(26,27)28/h10-15,17-20,22H,3-9,16,21H2,1-2H3
InChIKeyLXZLUBFXPQEVSA-UHFFFAOYSA-N
XLogP6.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.63
LogP ≤ 56.37
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 decoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The IUPAC name of decoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane (CID 91733074) is decoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane.
What is the SMILES notation for decoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The canonical SMILES for decoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane is CCCCCCCCCCO[Si](OC(C)C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of decoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The InChIKey is LXZLUBFXPQEVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F3O2Si/c1-3-4-5-6-7-8-9-16-21-29-31(23-17-12-10-13-18-23,24-19-14-11-15-20-24)30-22(2)25(26,27)28/h10-15,17-20,22H,3-9,16,21H2,1-2H3.
What are the key properties of decoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane?
decoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane has a molecular weight of 452.63 g/mol, XLogP of 6.37, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decoxy-diphenyl-(1,1,1-trifluoropropan-2-yloxy)silane is sourced from PubChem (CID 91733074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).