[2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane

C25H26F4O2Si — CID 91732702

IUPAC[2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane
SMILESCC(C)CCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26F4O2Si/c1-19(2)11-10-18-30-32(20-12-5-3-6-13-20,21-14-7-4-8-15-21)31-23-17-9-16-22(24(23)26)25(27,28)29/h3-9,12-17,19H,10-11,18H2,1-2H3
InChIKeyUYDGMBZTCYBHOJ-UHFFFAOYSA-N
MW462.56 g/mol
LogP5.93
Rot. Bonds9

About [2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane

[2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane (PubChem CID 91732702) has the molecular formula C25H26F4O2Si and a molecular weight of 462.56 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane
PubChem CID91732702
Molecular FormulaC25H26F4O2Si
Molecular Weight462.56 g/mol
Exact Mass462.16
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane
SMILESCC(C)CCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26F4O2Si/c1-19(2)11-10-18-30-32(20-12-5-3-6-13-20,21-14-7-4-8-15-21)31-23-17-9-16-22(24(23)26)25(27,28)29/h3-9,12-17,19H,10-11,18H2,1-2H3
InChIKeyUYDGMBZTCYBHOJ-UHFFFAOYSA-N
XLogP5.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 55.93
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 [2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane (CID 91732702) is [2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane is CC(C)CCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane?
The InChIKey is UYDGMBZTCYBHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4O2Si/c1-19(2)11-10-18-30-32(20-12-5-3-6-13-20,21-14-7-4-8-15-21)31-23-17-9-16-22(24(23)26)25(27,28)29/h3-9,12-17,19H,10-11,18H2,1-2H3.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane?
[2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane has a molecular weight of 462.56 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(trifluoromethyl)phenoxy]-(4-methylpentoxy)-diphenylsilane is sourced from PubChem (CID 91732702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).