tributyl-(4-fluoro-2-nitrophenyl)stannane

C18H30FNO2Sn — CID 23087155

IUPACtributyl-(4-fluoro-2-nitrophenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H3FNO2.3C4H9.Sn/c7-5-2-1-3-6(4-5)8(9)10;3*1-3-4-2;/h1-2,4H;3*1,3-4H2,2H3;
InChIKeyPQNGNRKGEHGWKP-UHFFFAOYSA-N
MW430.15 g/mol
LogP5.79
Rot. Bonds11

About tributyl-(4-fluoro-2-nitrophenyl)stannane

tributyl-(4-fluoro-2-nitrophenyl)stannane (PubChem CID 23087155) has the molecular formula C18H30FNO2Sn and a molecular weight of 430.15 g/mol. Its IUPAC name is tributyl-(4-fluoro-2-nitrophenyl)stannane.

Molecular Properties

Compound Nametributyl-(4-fluoro-2-nitrophenyl)stannane
PubChem CID23087155
Molecular FormulaC18H30FNO2Sn
Molecular Weight430.15 g/mol
Exact Mass431.13
IUPAC Nametributyl-(4-fluoro-2-nitrophenyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C6H3FNO2.3C4H9.Sn/c7-5-2-1-3-6(4-5)8(9)10;3*1-3-4-2;/h1-2,4H;3*1,3-4H2,2H3;
InChIKeyPQNGNRKGEHGWKP-UHFFFAOYSA-N
XLogP5.79
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.15
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributyl-(4-fluoro-2-nitrophenyl)stannane?
The IUPAC name of tributyl-(4-fluoro-2-nitrophenyl)stannane (CID 23087155) is tributyl-(4-fluoro-2-nitrophenyl)stannane.
What is the SMILES notation for tributyl-(4-fluoro-2-nitrophenyl)stannane?
The canonical SMILES for tributyl-(4-fluoro-2-nitrophenyl)stannane is CCCC[Sn](CCCC)(CCCC)c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of tributyl-(4-fluoro-2-nitrophenyl)stannane?
The InChIKey is PQNGNRKGEHGWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FNO2.3C4H9.Sn/c7-5-2-1-3-6(4-5)8(9)10;3*1-3-4-2;/h1-2,4H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(4-fluoro-2-nitrophenyl)stannane?
tributyl-(4-fluoro-2-nitrophenyl)stannane has a molecular weight of 430.15 g/mol, XLogP of 5.79, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(4-fluoro-2-nitrophenyl)stannane is sourced from PubChem (CID 23087155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).