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

C23H33F3Sn — CID 177486303

IUPACtributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane
SMILESCCCC[Sn](/C=C(\C#CC(F)(F)F)c1ccccc1)(CCCC)CCCC
InChIInChI=1S/C11H6F3.3C4H9.Sn/c1-9(7-8-11(12,13)14)10-5-3-2-4-6-10;3*1-3-4-2;/h1-6H;3*1,3-4H2,2H3;
InChIKeyNPTQWVKEUZCPLD-UHFFFAOYSA-N
MW485.22 g/mol
LogP8.02
Rot. Bonds11

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

tributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane (PubChem CID 177486303) has the molecular formula C23H33F3Sn and a molecular weight of 485.22 g/mol. Its IUPAC name is tributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane.

Molecular Properties

Compound Nametributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane
PubChem CID177486303
Molecular FormulaC23H33F3Sn
Molecular Weight485.22 g/mol
Exact Mass486.16
IUPAC Nametributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane
SMILESCCCC[Sn](/C=C(\C#CC(F)(F)F)c1ccccc1)(CCCC)CCCC
InChIInChI=1S/C11H6F3.3C4H9.Sn/c1-9(7-8-11(12,13)14)10-5-3-2-4-6-10;3*1-3-4-2;/h1-6H;3*1,3-4H2,2H3;
InChIKeyNPTQWVKEUZCPLD-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.22
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl-[(Z)-5,5,5-trifluoro-2-(4-phenylphenyl)pent-1-en-3-ynyl]stannane
CID 171932376
(E)-3-phenyl-4-tributylstannylbut-3-en-1-ol
CID 15688386
tributyl-(2,2-difluoro-1-phenylethenyl)stannane
CID 24824295
tributyl-[(E)-1-fluoro-2-phenylethenyl]stannane
CID 10862504
trimethyl-[(E)-3-phenyloct-3-en-1-ynyl]silane
CID 71663368
fluoro(triphenyl)stannane;tributyl(fluoro)stannane
CID 160888992
1-fluoronona-1,2-dienylbenzene
CID 174565883
tributyl-[(E)-2-phenylprop-1-enoxy]stannane
CID 16704522
tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane
CID 177456786
lithium (Z)-1-phenyl-3-tributylstannylprop-1-en-1-olate
CID 135050377
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
1-phenylpropan-1-one;zirconium
CID 173295106

Frequently Asked Questions

What is the IUPAC name of tributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane?
The IUPAC name of tributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane (CID 177486303) is tributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane.
What is the SMILES notation for tributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane?
The canonical SMILES for tributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane is CCCC[Sn](/C=C(\C#CC(F)(F)F)c1ccccc1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane?
The InChIKey is NPTQWVKEUZCPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3.3C4H9.Sn/c1-9(7-8-11(12,13)14)10-5-3-2-4-6-10;3*1-3-4-2;/h1-6H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane?
tributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane has a molecular weight of 485.22 g/mol, XLogP of 8.02, 11 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-phenylpent-1-en-3-ynyl]stannane is sourced from PubChem (CID 177486303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).