trimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane

C20H22F4O2Si2 — CID 134942086

IUPACtrimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane
SMILESC[Si](C)(C)Oc1ccc(O[Si](C)(C)C)c2cc3c(F)c(F)c(F)c(F)c3cc12
InChIInChI=1S/C20H22F4O2Si2/c1-27(2,3)25-15-7-8-16(26-28(4,5)6)12-10-14-13(9-11(12)15)17(21)19(23)20(24)18(14)22/h7-10H,1-6H3
InChIKeyJUKGXRCBDOBFMN-UHFFFAOYSA-N
MW426.56 g/mol
LogP6.98
Rot. Bonds4

About trimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane

trimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane (PubChem CID 134942086) has the molecular formula C20H22F4O2Si2 and a molecular weight of 426.56 g/mol. Its IUPAC name is trimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane.

Molecular Properties

Compound Nametrimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane
PubChem CID134942086
Molecular FormulaC20H22F4O2Si2
Molecular Weight426.56 g/mol
Exact Mass426.11
IUPAC Nametrimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane
SMILESC[Si](C)(C)Oc1ccc(O[Si](C)(C)C)c2cc3c(F)c(F)c(F)c(F)c3cc12
InChIInChI=1S/C20H22F4O2Si2/c1-27(2,3)25-15-7-8-16(26-28(4,5)6)12-10-14-13(9-11(12)15)17(21)19(23)20(24)18(14)22/h7-10H,1-6H3
InChIKeyJUKGXRCBDOBFMN-UHFFFAOYSA-N
XLogP6.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

CID 627602
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CID 13024091
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CID 12027134
CID 12027134
CID 51350949
CID 51350949
CID 134949786
CID 134949786
CID 86064655
CID 86064655
CID 134938906
CID 134938906
CID 134997288
CID 134997288
CID 11451091
CID 11451091
CID 22942521
CID 22942521
CID 15518730
CID 15518730
CID 22178225
CID 22178225

Frequently Asked Questions

What is the IUPAC name of trimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane?
The IUPAC name of trimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane (CID 134942086) is trimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane.
What is the SMILES notation for trimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane?
The canonical SMILES for trimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane is C[Si](C)(C)Oc1ccc(O[Si](C)(C)C)c2cc3c(F)c(F)c(F)c(F)c3cc12.
What is the InChIKey of trimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane?
The InChIKey is JUKGXRCBDOBFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4O2Si2/c1-27(2,3)25-15-7-8-16(26-28(4,5)6)12-10-14-13(9-11(12)15)17(21)19(23)20(24)18(14)22/h7-10H,1-6H3.
What are the key properties of trimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane?
trimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane has a molecular weight of 426.56 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(5,6,7,8-tetrafluoro-4-trimethylsilyloxyanthracen-1-yl)oxysilane is sourced from PubChem (CID 134942086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).