[4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane

C21H16F8N2O3Si — CID 91737361

IUPAC[4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)Oc1nc(Oc2ccc(F)c(C(F)(F)F)c2)cc(Oc2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C21H16F8N2O3Si/c1-35(2,3)34-19-30-17(32-11-4-6-15(22)13(8-11)20(24,25)26)10-18(31-19)33-12-5-7-16(23)14(9-12)21(27,28)29/h4-10H,1-3H3
InChIKeyVSSHUCIURFLHGJ-UHFFFAOYSA-N
MW524.44 g/mol
LogP7.59
Rot. Bonds6

About [4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane

[4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane (PubChem CID 91737361) has the molecular formula C21H16F8N2O3Si and a molecular weight of 524.44 g/mol. Its IUPAC name is [4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane
PubChem CID91737361
Molecular FormulaC21H16F8N2O3Si
Molecular Weight524.44 g/mol
Exact Mass524.08
IUPAC Name[4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)Oc1nc(Oc2ccc(F)c(C(F)(F)F)c2)cc(Oc2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C21H16F8N2O3Si/c1-35(2,3)34-19-30-17(32-11-4-6-15(22)13(8-11)20(24,25)26)10-18(31-19)33-12-5-7-16(23)14(9-12)21(27,28)29/h4-10H,1-3H3
InChIKeyVSSHUCIURFLHGJ-UHFFFAOYSA-N
XLogP7.59
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.44
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane?
The IUPAC name of [4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane (CID 91737361) is [4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane?
The canonical SMILES for [4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane is C[Si](C)(C)Oc1nc(Oc2ccc(F)c(C(F)(F)F)c2)cc(Oc2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of [4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane?
The InChIKey is VSSHUCIURFLHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F8N2O3Si/c1-35(2,3)34-19-30-17(32-11-4-6-15(22)13(8-11)20(24,25)26)10-18(31-19)33-12-5-7-16(23)14(9-12)21(27,28)29/h4-10H,1-3H3.
What are the key properties of [4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane?
[4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane has a molecular weight of 524.44 g/mol, XLogP of 7.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 91737361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).