tributyl-(5-fluoropyrimidin-2-yl)stannane

C16H29FN2Sn — CID 140706407

IUPACtributyl-(5-fluoropyrimidin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ncc(F)cn1
InChIInChI=1S/C4H2FN2.3C4H9.Sn/c5-4-1-6-3-7-2-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3;
InChIKeyDMBMEDGAFJPGCQ-UHFFFAOYSA-N
MW387.13 g/mol
LogP4.67
Rot. Bonds10

About tributyl-(5-fluoropyrimidin-2-yl)stannane

tributyl-(5-fluoropyrimidin-2-yl)stannane (PubChem CID 140706407) has the molecular formula C16H29FN2Sn and a molecular weight of 387.13 g/mol. Its IUPAC name is tributyl-(5-fluoropyrimidin-2-yl)stannane.

Molecular Properties

Compound Nametributyl-(5-fluoropyrimidin-2-yl)stannane
PubChem CID140706407
Molecular FormulaC16H29FN2Sn
Molecular Weight387.13 g/mol
Exact Mass388.13
IUPAC Nametributyl-(5-fluoropyrimidin-2-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ncc(F)cn1
InChIInChI=1S/C4H2FN2.3C4H9.Sn/c5-4-1-6-3-7-2-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3;
InChIKeyDMBMEDGAFJPGCQ-UHFFFAOYSA-N
XLogP4.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.13
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-(5-fluoropyrimidin-2-yl)stannane?
The IUPAC name of tributyl-(5-fluoropyrimidin-2-yl)stannane (CID 140706407) is tributyl-(5-fluoropyrimidin-2-yl)stannane.
What is the SMILES notation for tributyl-(5-fluoropyrimidin-2-yl)stannane?
The canonical SMILES for tributyl-(5-fluoropyrimidin-2-yl)stannane is CCCC[Sn](CCCC)(CCCC)c1ncc(F)cn1.
What is the InChIKey of tributyl-(5-fluoropyrimidin-2-yl)stannane?
The InChIKey is DMBMEDGAFJPGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2FN2.3C4H9.Sn/c5-4-1-6-3-7-2-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(5-fluoropyrimidin-2-yl)stannane?
tributyl-(5-fluoropyrimidin-2-yl)stannane has a molecular weight of 387.13 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(5-fluoropyrimidin-2-yl)stannane is sourced from PubChem (CID 140706407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).