tribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane

C29H25F5Sn — CID 177398927

IUPACtribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane
SMILESFc1c(F)c(F)c(CC[Sn](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)c(F)c1F
InChIInChI=1S/C8H4F5.3C7H7.Sn/c1-2-3-4(9)6(11)8(13)7(12)5(3)10;3*1-7-5-3-2-4-6-7;/h1-2H2;3*2-6H,1H2;
InChIKeyXAWOSSSODZAXDX-UHFFFAOYSA-N
MW587.22 g/mol
LogP7.72
Rot. Bonds9

About tribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane

tribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane (PubChem CID 177398927) has the molecular formula C29H25F5Sn and a molecular weight of 587.22 g/mol. Its IUPAC name is tribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane.

Molecular Properties

Compound Nametribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane
PubChem CID177398927
Molecular FormulaC29H25F5Sn
Molecular Weight587.22 g/mol
Exact Mass588.09
IUPAC Nametribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane
SMILESFc1c(F)c(F)c(CC[Sn](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)c(F)c1F
InChIInChI=1S/C8H4F5.3C7H7.Sn/c1-2-3-4(9)6(11)8(13)7(12)5(3)10;3*1-7-5-3-2-4-6-7;/h1-2H2;3*2-6H,1H2;
InChIKeyXAWOSSSODZAXDX-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.22
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

benzyl-dimethyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]silane
CID 156634604
3-benzyl-4,5,6-trifluorobenzene-1,2-diamine
CID 152613756
benzylphosphanium;bis(palladium(2+))
CID 175706897
benzene;2-phenylethylbenzene
CID 18982764
benzyl-tris(2,3,4,5,6-pentafluorophenyl)plumbane
CID 134904859
(benzylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139129604
1-benzyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 154487763
hafnium;2-phenylethylbenzene
CID 173109801
1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol
CID 114978840
(E)-3-[2,3,5,6-tetrafluoro-4-(3-phenylpropyl)phenyl]prop-2-enoic acid
CID 122214214
(1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol
CID 10684746
tribenzyl(methoxy)stannane
CID 16696635

Frequently Asked Questions

What is the IUPAC name of tribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane?
The IUPAC name of tribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane (CID 177398927) is tribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane.
What is the SMILES notation for tribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane?
The canonical SMILES for tribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane is Fc1c(F)c(F)c(CC[Sn](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)c(F)c1F.
What is the InChIKey of tribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane?
The InChIKey is XAWOSSSODZAXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5.3C7H7.Sn/c1-2-3-4(9)6(11)8(13)7(12)5(3)10;3*1-7-5-3-2-4-6-7;/h1-2H2;3*2-6H,1H2;.
What are the key properties of tribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane?
tribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane has a molecular weight of 587.22 g/mol, XLogP of 7.72, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tribenzyl-[2-(2,3,4,5,6-pentafluorophenyl)ethyl]stannane is sourced from PubChem (CID 177398927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).