tributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane

C29H37F3Sn — CID 171932376

IUPACtributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane
SMILESCCCC[Sn](/C=C(\C#CC(F)(F)F)c1ccc(-c2ccccc2)cc1)(CCCC)CCCC
InChIInChI=1S/C17H10F3.3C4H9.Sn/c1-13(11-12-17(18,19)20)14-7-9-16(10-8-14)15-5-3-2-4-6-15;3*1-3-4-2;/h1-10H;3*1,3-4H2,2H3;
InChIKeyKTAZEIIHEBTCNE-UHFFFAOYSA-N
MW561.32 g/mol
LogP9.69
Rot. Bonds12

About tributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane

tributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane (PubChem CID 171932376) has the molecular formula C29H37F3Sn and a molecular weight of 561.32 g/mol. Its IUPAC name is tributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane
PubChem CID171932376
Molecular FormulaC29H37F3Sn
Molecular Weight561.32 g/mol
Exact Mass562.19
IUPAC Nametributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane
SMILESCCCC[Sn](/C=C(\C#CC(F)(F)F)c1ccc(-c2ccccc2)cc1)(CCCC)CCCC
InChIInChI=1S/C17H10F3.3C4H9.Sn/c1-13(11-12-17(18,19)20)14-7-9-16(10-8-14)15-5-3-2-4-6-15;3*1-3-4-2;/h1-10H;3*1,3-4H2,2H3;
InChIKeyKTAZEIIHEBTCNE-UHFFFAOYSA-N
XLogP9.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.32
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane?
The IUPAC name of tributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane (CID 171932376) is tributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane.
What is the SMILES notation for tributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane?
The canonical SMILES for tributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane is CCCC[Sn](/C=C(\C#CC(F)(F)F)c1ccc(-c2ccccc2)cc1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane?
The InChIKey is KTAZEIIHEBTCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3.3C4H9.Sn/c1-13(11-12-17(18,19)20)14-7-9-16(10-8-14)15-5-3-2-4-6-15;3*1-3-4-2;/h1-10H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane?
tributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane has a molecular weight of 561.32 g/mol, XLogP of 9.69, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane is sourced from PubChem (CID 171932376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).