tributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane

C16H29F3N2Sn — CID 11316234

IUPACtributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C4H2F3N2.3C4H9.Sn/c5-4(6,7)3-1-8-9-2-3;3*1-3-4-2;/h1H,(H,8,9);3*1,3-4H2,2H3;
InChIKeyZIDKUDVVIPYIIF-UHFFFAOYSA-N
MW425.13 g/mol
LogP5.48
Rot. Bonds10

About tributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane

tributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane (PubChem CID 11316234) has the molecular formula C16H29F3N2Sn and a molecular weight of 425.13 g/mol. Its IUPAC name is tributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane.

Molecular Properties

Compound Nametributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane
PubChem CID11316234
Molecular FormulaC16H29F3N2Sn
Molecular Weight425.13 g/mol
Exact Mass426.13
IUPAC Nametributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1[nH]ncc1C(F)(F)F
InChIInChI=1S/C4H2F3N2.3C4H9.Sn/c5-4(6,7)3-1-8-9-2-3;3*1-3-4-2;/h1H,(H,8,9);3*1,3-4H2,2H3;
InChIKeyZIDKUDVVIPYIIF-UHFFFAOYSA-N
XLogP5.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.13
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane?
The IUPAC name of tributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane (CID 11316234) is tributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane.
What is the SMILES notation for tributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane?
The canonical SMILES for tributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1[nH]ncc1C(F)(F)F.
What is the InChIKey of tributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane?
The InChIKey is ZIDKUDVVIPYIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3N2.3C4H9.Sn/c5-4(6,7)3-1-8-9-2-3;3*1-3-4-2;/h1H,(H,8,9);3*1,3-4H2,2H3;.
What are the key properties of tributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane?
tributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane has a molecular weight of 425.13 g/mol, XLogP of 5.48, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[4-(trifluoromethyl)-1H-pyrazol-5-yl]stannane is sourced from PubChem (CID 11316234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).