2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(trimethyl)silane

C12H12F16OSi — CID 14197915

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(trimethyl)silane
SMILESC[Si](C)(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H12F16OSi/c1-30(2,3)29-4-6(15,16)8(19,20)10(23,24)12(27,28)11(25,26)9(21,22)7(17,18)5(13)14/h5H,4H2,1-3H3
InChIKeyZDEXQGDYSGNORC-UHFFFAOYSA-N
MW504.28 g/mol
LogP6.55
Rot. Bonds10

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(trimethyl)silane

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(trimethyl)silane (PubChem CID 14197915) has the molecular formula C12H12F16OSi and a molecular weight of 504.28 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(trimethyl)silane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(trimethyl)silane
PubChem CID14197915
Molecular FormulaC12H12F16OSi
Molecular Weight504.28 g/mol
Exact Mass504.04
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(trimethyl)silane
SMILESC[Si](C)(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H12F16OSi/c1-30(2,3)29-4-6(15,16)8(19,20)10(23,24)12(27,28)11(25,26)9(21,22)7(17,18)5(13)14/h5H,4H2,1-3H3
InChIKeyZDEXQGDYSGNORC-UHFFFAOYSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.28
LogP ≤ 56.55
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-hexadecafluorononoxy(trimethyl)silane?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(trimethyl)silane (CID 14197915) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(trimethyl)silane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(trimethyl)silane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(trimethyl)silane is C[Si](C)(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(trimethyl)silane?
The InChIKey is ZDEXQGDYSGNORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F16OSi/c1-30(2,3)29-4-6(15,16)8(19,20)10(23,24)12(27,28)11(25,26)9(21,22)7(17,18)5(13)14/h5H,4H2,1-3H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(trimethyl)silane?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononoxy(trimethyl)silane has a molecular weight of 504.28 g/mol, XLogP of 6.55, 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-hexadecafluorononoxy(trimethyl)silane is sourced from PubChem (CID 14197915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).