tributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane

C16H28F3NOSn — CID 53418317

IUPACtributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C(F)(F)F)no1
InChIInChI=1S/C4HF3NO.3C4H9.Sn/c5-4(6,7)3-1-2-9-8-3;3*1-3-4-2;/h1H;3*1,3-4H2,2H3;
InChIKeyVHSKKZIBWCWIOO-UHFFFAOYSA-N
MW426.11 g/mol
LogP5.75
Rot. Bonds10

About tributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane

tributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane (PubChem CID 53418317) has the molecular formula C16H28F3NOSn and a molecular weight of 426.11 g/mol. Its IUPAC name is tributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane.

Molecular Properties

Compound Nametributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane
PubChem CID53418317
Molecular FormulaC16H28F3NOSn
Molecular Weight426.11 g/mol
Exact Mass427.11
IUPAC Nametributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cc(C(F)(F)F)no1
InChIInChI=1S/C4HF3NO.3C4H9.Sn/c5-4(6,7)3-1-2-9-8-3;3*1-3-4-2;/h1H;3*1,3-4H2,2H3;
InChIKeyVHSKKZIBWCWIOO-UHFFFAOYSA-N
XLogP5.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.11
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane?
The IUPAC name of tributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane (CID 53418317) is tributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane.
What is the SMILES notation for tributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane?
The canonical SMILES for tributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cc(C(F)(F)F)no1.
What is the InChIKey of tributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane?
The InChIKey is VHSKKZIBWCWIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF3NO.3C4H9.Sn/c5-4(6,7)3-1-2-9-8-3;3*1-3-4-2;/h1H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane?
tributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane has a molecular weight of 426.11 g/mol, XLogP of 5.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane is sourced from PubChem (CID 53418317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).