tributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane

C20H35F3N2Sn — CID 140742867

IUPACtributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(C(F)(F)F)nc2n1CCCC2
InChIInChI=1S/C8H8F3N2.3C4H9.Sn/c9-8(10,11)6-5-13-4-2-1-3-7(13)12-6;3*1-3-4-2;/h1-4H2;3*1,3-4H2,2H3;
InChIKeyUFMIMTGJYIVAOH-UHFFFAOYSA-N
MW479.22 g/mol
LogP6.29
Rot. Bonds10

About tributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane

tributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane (PubChem CID 140742867) has the molecular formula C20H35F3N2Sn and a molecular weight of 479.22 g/mol. Its IUPAC name is tributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane.

Molecular Properties

Compound Nametributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane
PubChem CID140742867
Molecular FormulaC20H35F3N2Sn
Molecular Weight479.22 g/mol
Exact Mass480.18
IUPAC Nametributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1c(C(F)(F)F)nc2n1CCCC2
InChIInChI=1S/C8H8F3N2.3C4H9.Sn/c9-8(10,11)6-5-13-4-2-1-3-7(13)12-6;3*1-3-4-2;/h1-4H2;3*1,3-4H2,2H3;
InChIKeyUFMIMTGJYIVAOH-UHFFFAOYSA-N
XLogP6.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.22
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane?
The IUPAC name of tributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane (CID 140742867) is tributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane.
What is the SMILES notation for tributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane?
The canonical SMILES for tributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1c(C(F)(F)F)nc2n1CCCC2.
What is the InChIKey of tributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane?
The InChIKey is UFMIMTGJYIVAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N2.3C4H9.Sn/c9-8(10,11)6-5-13-4-2-1-3-7(13)12-6;3*1-3-4-2;/h1-4H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane?
tributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane has a molecular weight of 479.22 g/mol, XLogP of 6.29, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]stannane is sourced from PubChem (CID 140742867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).