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

C26H28F4O2Si — CID 91732648

IUPAC[2-fluoro-3-(trifluoromethyl)phenoxy]-heptoxy-diphenylsilane
SMILESCCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28F4O2Si/c1-2-3-4-5-12-20-31-33(21-14-8-6-9-15-21,22-16-10-7-11-17-22)32-24-19-13-18-23(25(24)27)26(28,29)30/h6-11,13-19H,2-5,12,20H2,1H3
InChIKeyICFOGZDLYYGJPB-UHFFFAOYSA-N
MW476.59 g/mol
LogP6.47
Rot. Bonds11

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

[2-fluoro-3-(trifluoromethyl)phenoxy]-heptoxy-diphenylsilane (PubChem CID 91732648) has the molecular formula C26H28F4O2Si and a molecular weight of 476.59 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenoxy]-heptoxy-diphenylsilane.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenoxy]-heptoxy-diphenylsilane
PubChem CID91732648
Molecular FormulaC26H28F4O2Si
Molecular Weight476.59 g/mol
Exact Mass476.18
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenoxy]-heptoxy-diphenylsilane
SMILESCCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28F4O2Si/c1-2-3-4-5-12-20-31-33(21-14-8-6-9-15-21,22-16-10-7-11-17-22)32-24-19-13-18-23(25(24)27)26(28,29)30/h6-11,13-19H,2-5,12,20H2,1H3
InChIKeyICFOGZDLYYGJPB-UHFFFAOYSA-N
XLogP6.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.59
LogP ≤ 56.47
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]-heptoxy-diphenylsilane?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenoxy]-heptoxy-diphenylsilane (CID 91732648) is [2-fluoro-3-(trifluoromethyl)phenoxy]-heptoxy-diphenylsilane.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenoxy]-heptoxy-diphenylsilane?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenoxy]-heptoxy-diphenylsilane is CCCCCCCO[Si](Oc1cccc(C(F)(F)F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenoxy]-heptoxy-diphenylsilane?
The InChIKey is ICFOGZDLYYGJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F4O2Si/c1-2-3-4-5-12-20-31-33(21-14-8-6-9-15-21,22-16-10-7-11-17-22)32-24-19-13-18-23(25(24)27)26(28,29)30/h6-11,13-19H,2-5,12,20H2,1H3.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenoxy]-heptoxy-diphenylsilane?
[2-fluoro-3-(trifluoromethyl)phenoxy]-heptoxy-diphenylsilane has a molecular weight of 476.59 g/mol, XLogP of 6.47, 11 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]-heptoxy-diphenylsilane is sourced from PubChem (CID 91732648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).