tributyl-(4-chloro-2-fluorophenyl)stannane

C18H30ClFSn — CID 139884549

IUPACtributyl-(4-chloro-2-fluorophenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(Cl)cc1F
InChIInChI=1S/C6H3ClF.3C4H9.Sn/c7-5-2-1-3-6(8)4-5;3*1-3-4-2;/h1-2,4H;3*1,3-4H2,2H3;
InChIKeyIDCSUDWGWITYTE-UHFFFAOYSA-N
MW419.60 g/mol
LogP6.54
Rot. Bonds10

About tributyl-(4-chloro-2-fluorophenyl)stannane

tributyl-(4-chloro-2-fluorophenyl)stannane (PubChem CID 139884549) has the molecular formula C18H30ClFSn and a molecular weight of 419.60 g/mol. Its IUPAC name is tributyl-(4-chloro-2-fluorophenyl)stannane.

Molecular Properties

Compound Nametributyl-(4-chloro-2-fluorophenyl)stannane
PubChem CID139884549
Molecular FormulaC18H30ClFSn
Molecular Weight419.60 g/mol
Exact Mass420.10
IUPAC Nametributyl-(4-chloro-2-fluorophenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(Cl)cc1F
InChIInChI=1S/C6H3ClF.3C4H9.Sn/c7-5-2-1-3-6(8)4-5;3*1-3-4-2;/h1-2,4H;3*1,3-4H2,2H3;
InChIKeyIDCSUDWGWITYTE-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.60
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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tributyl-(2,6-difluoro-4-isocyanophenyl)stannane
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tributyl-(3,5-dichloro-2,4,6-trifluorophenyl)stannane
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tributyl-(2-chloro-3-pyridinyl)stannane
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Frequently Asked Questions

What is the IUPAC name of tributyl-(4-chloro-2-fluorophenyl)stannane?
The IUPAC name of tributyl-(4-chloro-2-fluorophenyl)stannane (CID 139884549) is tributyl-(4-chloro-2-fluorophenyl)stannane.
What is the SMILES notation for tributyl-(4-chloro-2-fluorophenyl)stannane?
The canonical SMILES for tributyl-(4-chloro-2-fluorophenyl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccc(Cl)cc1F.
What is the InChIKey of tributyl-(4-chloro-2-fluorophenyl)stannane?
The InChIKey is IDCSUDWGWITYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF.3C4H9.Sn/c7-5-2-1-3-6(8)4-5;3*1-3-4-2;/h1-2,4H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(4-chloro-2-fluorophenyl)stannane?
tributyl-(4-chloro-2-fluorophenyl)stannane has a molecular weight of 419.60 g/mol, XLogP of 6.54, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(4-chloro-2-fluorophenyl)stannane is sourced from PubChem (CID 139884549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).