2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorononoxysilane

C9H9F13OSi — CID 173217121

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorononoxysilane
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO[SiH3]
InChIInChI=1S/C9H9F13OSi/c1-3(10)5(13,14)7(17,18)9(21,22)8(19,20)6(15,16)4(11,12)2-23-24/h3H,2H2,1,24H3
InChIKeyXHGLSXYIXKAVKV-UHFFFAOYSA-N
MW408.23 g/mol
LogP3.45
Rot. Bonds8

About 2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorononoxysilane

2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorononoxysilane (PubChem CID 173217121) has the molecular formula C9H9F13OSi and a molecular weight of 408.23 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorononoxysilane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorononoxysilane
PubChem CID173217121
Molecular FormulaC9H9F13OSi
Molecular Weight408.23 g/mol
Exact Mass408.02
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorononoxysilane
SMILESCC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO[SiH3]
InChIInChI=1S/C9H9F13OSi/c1-3(10)5(13,14)7(17,18)9(21,22)8(19,20)6(15,16)4(11,12)2-23-24/h3H,2H2,1,24H3
InChIKeyXHGLSXYIXKAVKV-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.23
LogP ≤ 53.45
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-tridecafluorononoxysilane?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorononoxysilane (CID 173217121) is 2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorononoxysilane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorononoxysilane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorononoxysilane is CC(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-tridecafluorononoxysilane?
The InChIKey is XHGLSXYIXKAVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F13OSi/c1-3(10)5(13,14)7(17,18)9(21,22)8(19,20)6(15,16)4(11,12)2-23-24/h3H,2H2,1,24H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorononoxysilane?
2,2,3,3,4,4,5,5,6,6,7,7,8-tridecafluorononoxysilane has a molecular weight of 408.23 g/mol, XLogP of 3.45, 8 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-tridecafluorononoxysilane is sourced from PubChem (CID 173217121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).