2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane

C11H16ClF3N2O2Si — CID 178112024

IUPAC2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane
SMILESC[Si](C)(C)CCOc1nc(Cl)ncc1OCC(F)(F)F
InChIInChI=1S/C11H16ClF3N2O2Si/c1-20(2,3)5-4-18-9-8(6-16-10(12)17-9)19-7-11(13,14)15/h6H,4-5,7H2,1-3H3
InChIKeyXZLSJDZOMGEUPC-UHFFFAOYSA-N
MW328.79 g/mol
LogP3.79
Rot. Bonds6

About 2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane

2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane (PubChem CID 178112024) has the molecular formula C11H16ClF3N2O2Si and a molecular weight of 328.79 g/mol. Its IUPAC name is 2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane
PubChem CID178112024
Molecular FormulaC11H16ClF3N2O2Si
Molecular Weight328.79 g/mol
Exact Mass328.06
IUPAC Name2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane
SMILESC[Si](C)(C)CCOc1nc(Cl)ncc1OCC(F)(F)F
InChIInChI=1S/C11H16ClF3N2O2Si/c1-20(2,3)5-4-18-9-8(6-16-10(12)17-9)19-7-11(13,14)15/h6H,4-5,7H2,1-3H3
InChIKeyXZLSJDZOMGEUPC-UHFFFAOYSA-N
XLogP3.79
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.79
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane?
The IUPAC name of 2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane (CID 178112024) is 2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane.
What is the SMILES notation for 2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane?
The canonical SMILES for 2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane is C[Si](C)(C)CCOc1nc(Cl)ncc1OCC(F)(F)F.
What is the InChIKey of 2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane?
The InChIKey is XZLSJDZOMGEUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF3N2O2Si/c1-20(2,3)5-4-18-9-8(6-16-10(12)17-9)19-7-11(13,14)15/h6H,4-5,7H2,1-3H3.
What are the key properties of 2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane?
2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane has a molecular weight of 328.79 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]oxyethyl-trimethylsilane is sourced from PubChem (CID 178112024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).