tributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane

C18H31F3N2OSn — CID 155702470

IUPACtributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ncc(OCC(F)(F)F)cn1
InChIInChI=1S/C6H4F3N2O.3C4H9.Sn/c7-6(8,9)3-12-5-1-10-4-11-2-5;3*1-3-4-2;/h1-2H,3H2;3*1,3-4H2,2H3;
InChIKeyWDLSJXNZTWUPKS-UHFFFAOYSA-N
MW467.16 g/mol
LogP5.47
Rot. Bonds12

About tributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane

tributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane (PubChem CID 155702470) has the molecular formula C18H31F3N2OSn and a molecular weight of 467.16 g/mol. Its IUPAC name is tributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane
PubChem CID155702470
Molecular FormulaC18H31F3N2OSn
Molecular Weight467.16 g/mol
Exact Mass468.14
IUPAC Nametributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ncc(OCC(F)(F)F)cn1
InChIInChI=1S/C6H4F3N2O.3C4H9.Sn/c7-6(8,9)3-12-5-1-10-4-11-2-5;3*1-3-4-2;/h1-2H,3H2;3*1,3-4H2,2H3;
InChIKeyWDLSJXNZTWUPKS-UHFFFAOYSA-N
XLogP5.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.16
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane?
The IUPAC name of tributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane (CID 155702470) is tributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane.
What is the SMILES notation for tributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane?
The canonical SMILES for tributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1ncc(OCC(F)(F)F)cn1.
What is the InChIKey of tributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane?
The InChIKey is WDLSJXNZTWUPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N2O.3C4H9.Sn/c7-6(8,9)3-12-5-1-10-4-11-2-5;3*1-3-4-2;/h1-2H,3H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane?
tributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane has a molecular weight of 467.16 g/mol, XLogP of 5.47, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[5-(2,2,2-trifluoroethoxy)pyrimidin-2-yl]stannane is sourced from PubChem (CID 155702470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).