tributyl-(2,2-difluoro-1-phenylethenyl)stannane

C20H32F2Sn — CID 24824295

IUPACtributyl-(2,2-difluoro-1-phenylethenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(=C(F)F)c1ccccc1
InChIInChI=1S/C8H5F2.3C4H9.Sn/c9-8(10)6-7-4-2-1-3-5-7;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;
InChIKeyQTKPXQSNYUVBDC-UHFFFAOYSA-N
MW429.18 g/mol
LogP7.68
Rot. Bonds11

About tributyl-(2,2-difluoro-1-phenylethenyl)stannane

tributyl-(2,2-difluoro-1-phenylethenyl)stannane (PubChem CID 24824295) has the molecular formula C20H32F2Sn and a molecular weight of 429.18 g/mol. Its IUPAC name is tributyl-(2,2-difluoro-1-phenylethenyl)stannane.

Molecular Properties

Compound Nametributyl-(2,2-difluoro-1-phenylethenyl)stannane
PubChem CID24824295
Molecular FormulaC20H32F2Sn
Molecular Weight429.18 g/mol
Exact Mass430.15
IUPAC Nametributyl-(2,2-difluoro-1-phenylethenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(=C(F)F)c1ccccc1
InChIInChI=1S/C8H5F2.3C4H9.Sn/c9-8(10)6-7-4-2-1-3-5-7;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;
InChIKeyQTKPXQSNYUVBDC-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.18
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tributyl-[(1E,4E)-2-methyl-1-phenylhexa-1,4-dienyl]stannane
CID 177456786
tributyl-[(E)-1-fluoro-2-phenylethenyl]stannane
CID 10862504
(E)-3-phenyl-4-tributylstannylbut-3-en-1-ol
CID 15688386
ethyl (2E)-2-[phenyl(tributylstannyl)methylidene]pent-4-enoate
CID 11318098
1,1-difluorohept-1-en-2-ylbenzene
CID 10954812
tributyl-[(Z)-5,5,5-trifluoro-2-phenylpent-1-en-3-ynyl]stannane
CID 177486303
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
2-[dibutyl-(1,3-dioxo-1,3-diphenylpropan-2-yl)stannyl]-1,3-diphenylpropane-1,3-dione
CID 10842248
3-(difluoromethylidene)hept-1-en-2-ylbenzene
CID 10911134
[(E)-4-fluorotetradec-3-en-3-yl]benzene
CID 102385844
4-[(Z)-3,3,3-trifluoro-1,2-bis(tributylstannyl)prop-1-enyl]benzonitrile
CID 44518745
fluoro(triphenyl)stannane;tributyl(fluoro)stannane
CID 160888992

Frequently Asked Questions

What is the IUPAC name of tributyl-(2,2-difluoro-1-phenylethenyl)stannane?
The IUPAC name of tributyl-(2,2-difluoro-1-phenylethenyl)stannane (CID 24824295) is tributyl-(2,2-difluoro-1-phenylethenyl)stannane.
What is the SMILES notation for tributyl-(2,2-difluoro-1-phenylethenyl)stannane?
The canonical SMILES for tributyl-(2,2-difluoro-1-phenylethenyl)stannane is CCCC[Sn](CCCC)(CCCC)C(=C(F)F)c1ccccc1.
What is the InChIKey of tributyl-(2,2-difluoro-1-phenylethenyl)stannane?
The InChIKey is QTKPXQSNYUVBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2.3C4H9.Sn/c9-8(10)6-7-4-2-1-3-5-7;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(2,2-difluoro-1-phenylethenyl)stannane?
tributyl-(2,2-difluoro-1-phenylethenyl)stannane has a molecular weight of 429.18 g/mol, XLogP of 7.68, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2,2-difluoro-1-phenylethenyl)stannane is sourced from PubChem (CID 24824295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).