dibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane

C16H23F5Sn — CID 134878233

IUPACdibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane
SMILESCCCC[Sn](CCCC)(c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5.2C4H9.C2F5.Sn/c1-2-4-6-5-3-1;2*1-3-4-2;3-1(4)2(5,6)7;/h1-5H;2*1,3-4H2,2H3;;
InChIKeyKCGIXEWKVWVXPC-UHFFFAOYSA-N
MW429.06 g/mol
LogP5.68
Rot. Bonds8

About dibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane

dibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane (PubChem CID 134878233) has the molecular formula C16H23F5Sn and a molecular weight of 429.06 g/mol. Its IUPAC name is dibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane.

Molecular Properties

Compound Namedibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane
PubChem CID134878233
Molecular FormulaC16H23F5Sn
Molecular Weight429.06 g/mol
Exact Mass430.07
IUPAC Namedibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane
SMILESCCCC[Sn](CCCC)(c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5.2C4H9.C2F5.Sn/c1-2-4-6-5-3-1;2*1-3-4-2;3-1(4)2(5,6)7;/h1-5H;2*1,3-4H2,2H3;;
InChIKeyKCGIXEWKVWVXPC-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.06
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane?
The IUPAC name of dibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane (CID 134878233) is dibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane.
What is the SMILES notation for dibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane?
The canonical SMILES for dibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane is CCCC[Sn](CCCC)(c1ccccc1)C(F)(F)C(F)(F)F.
What is the InChIKey of dibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane?
The InChIKey is KCGIXEWKVWVXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.2C4H9.C2F5.Sn/c1-2-4-6-5-3-1;2*1-3-4-2;3-1(4)2(5,6)7;/h1-5H;2*1,3-4H2,2H3;;.
What are the key properties of dibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane?
dibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane has a molecular weight of 429.06 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane is sourced from PubChem (CID 134878233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).