2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane

C11H9F17OSi — CID 173208275

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO[SiH3]
InChIInChI=1S/C11H9F17OSi/c1-3(12)5(15,16)7(19,20)9(23,24)11(27,28)10(25,26)8(21,22)6(17,18)4(13,14)2-29-30/h3H,2H2,1,30H3
InChIKeyKYBHVNYGBVXSLM-UHFFFAOYSA-N
MW508.24 g/mol
LogP4.72
Rot. Bonds10

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane (PubChem CID 173208275) has the molecular formula C11H9F17OSi and a molecular weight of 508.24 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane
PubChem CID173208275
Molecular FormulaC11H9F17OSi
Molecular Weight508.24 g/mol
Exact Mass508.02
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO[SiH3]
InChIInChI=1S/C11H9F17OSi/c1-3(12)5(15,16)7(19,20)9(23,24)11(27,28)10(25,26)8(21,22)6(17,18)4(13,14)2-29-30/h3H,2H2,1,30H3
InChIKeyKYBHVNYGBVXSLM-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.24
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane (CID 173208275) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane is CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO[SiH3].
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane?
The InChIKey is KYBHVNYGBVXSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F17OSi/c1-3(12)5(15,16)7(19,20)9(23,24)11(27,28)10(25,26)8(21,22)6(17,18)4(13,14)2-29-30/h3H,2H2,1,30H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane has a molecular weight of 508.24 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10-heptadecafluoroundecoxysilane is sourced from PubChem (CID 173208275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).