[2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane

C25H26F4O2Si — CID 91732653

IUPAC[2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane
SMILESCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26F4O2Si/c1-2-3-4-11-19-30-32(20-13-7-5-8-14-20,21-15-9-6-10-16-21)31-23-18-12-17-22(24(23)26)25(27,28)29/h5-10,12-18H,2-4,11,19H2,1H3
InChIKeyYIKOWDUSRLETCO-UHFFFAOYSA-N
MW462.56 g/mol
LogP6.08
Rot. Bonds10

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

[2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane (PubChem CID 91732653) has the molecular formula C25H26F4O2Si and a molecular weight of 462.56 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane
PubChem CID91732653
Molecular FormulaC25H26F4O2Si
Molecular Weight462.56 g/mol
Exact Mass462.16
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane
SMILESCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26F4O2Si/c1-2-3-4-11-19-30-32(20-13-7-5-8-14-20,21-15-9-6-10-16-21)31-23-18-12-17-22(24(23)26)25(27,28)29/h5-10,12-18H,2-4,11,19H2,1H3
InChIKeyYIKOWDUSRLETCO-UHFFFAOYSA-N
XLogP6.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 56.08
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]-hexoxy-diphenylsilane?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane (CID 91732653) is [2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane is CCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane?
The InChIKey is YIKOWDUSRLETCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4O2Si/c1-2-3-4-11-19-30-32(20-13-7-5-8-14-20,21-15-9-6-10-16-21)31-23-18-12-17-22(24(23)26)25(27,28)29/h5-10,12-18H,2-4,11,19H2,1H3.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane?
[2-fluoro-3-(trifluoromethyl)phenoxy]-hexoxy-diphenylsilane has a molecular weight of 462.56 g/mol, XLogP of 6.08, 10 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]-hexoxy-diphenylsilane is sourced from PubChem (CID 91732653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).