4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane

C22H19F3Sn — CID 173182288

IUPAC4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane
SMILESFc1ccc(C(CCC[SnH])(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H18F3.Sn.H/c1-2-15-22(16-3-9-19(23)10-4-16,17-5-11-20(24)12-6-17)18-7-13-21(25)14-8-18;;/h3-14H,1-2,15H2;;
InChIKeyCIOACRINCLWRAC-UHFFFAOYSA-N
MW459.10 g/mol
LogP5.54
Rot. Bonds6

About 4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane

4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane (PubChem CID 173182288) has the molecular formula C22H19F3Sn and a molecular weight of 459.10 g/mol. Its IUPAC name is 4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane.

Molecular Properties

Compound Name4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane
PubChem CID173182288
Molecular FormulaC22H19F3Sn
Molecular Weight459.10 g/mol
Exact Mass460.05
IUPAC Name4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane
SMILESFc1ccc(C(CCC[SnH])(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H18F3.Sn.H/c1-2-15-22(16-3-9-19(23)10-4-16,17-5-11-20(24)12-6-17)18-7-13-21(25)14-8-18;;/h3-14H,1-2,15H2;;
InChIKeyCIOACRINCLWRAC-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.10
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane?
The IUPAC name of 4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane (CID 173182288) is 4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane.
What is the SMILES notation for 4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane?
The canonical SMILES for 4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane is Fc1ccc(C(CCC[SnH])(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane?
The InChIKey is CIOACRINCLWRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3.Sn.H/c1-2-15-22(16-3-9-19(23)10-4-16,17-5-11-20(24)12-6-17)18-7-13-21(25)14-8-18;;/h3-14H,1-2,15H2;;.
What are the key properties of 4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane?
4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane has a molecular weight of 459.10 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-tris(4-fluorophenyl)butyl-λ2-stannane is sourced from PubChem (CID 173182288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).