tributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane

C16H30FNSSn — CID 15540480

IUPACtributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1csc(CF)n1
InChIInChI=1S/C4H3FNS.3C4H9.Sn/c5-3-4-6-1-2-7-4;3*1-3-4-2;/h2H,3H2;3*1,3-4H2,2H3;
InChIKeyUHTLCEHWBGIXTG-UHFFFAOYSA-N
MW406.20 g/mol
LogP5.67
Rot. Bonds11

About tributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane

tributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane (PubChem CID 15540480) has the molecular formula C16H30FNSSn and a molecular weight of 406.20 g/mol. Its IUPAC name is tributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane.

Molecular Properties

Compound Nametributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane
PubChem CID15540480
Molecular FormulaC16H30FNSSn
Molecular Weight406.20 g/mol
Exact Mass407.11
IUPAC Nametributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1csc(CF)n1
InChIInChI=1S/C4H3FNS.3C4H9.Sn/c5-3-4-6-1-2-7-4;3*1-3-4-2;/h2H,3H2;3*1,3-4H2,2H3;
InChIKeyUHTLCEHWBGIXTG-UHFFFAOYSA-N
XLogP5.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.20
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane?
The IUPAC name of tributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane (CID 15540480) is tributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane.
What is the SMILES notation for tributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane?
The canonical SMILES for tributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1csc(CF)n1.
What is the InChIKey of tributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane?
The InChIKey is UHTLCEHWBGIXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FNS.3C4H9.Sn/c5-3-4-6-1-2-7-4;3*1-3-4-2;/h2H,3H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane?
tributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane has a molecular weight of 406.20 g/mol, XLogP of 5.67, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-(fluoromethyl)-1,3-thiazol-4-yl]stannane is sourced from PubChem (CID 15540480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).