dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane

C11H13F13O2Si — CID 173221103

IUPACdimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane
SMILESCO[SiH](CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)OC
InChIInChI=1S/C11H13F13O2Si/c1-25-27(26-2)3-4(12)8(17,18)10(21,22)11(23,24)9(19,20)6(14)5(13)7(15)16/h4-7,27H,3H2,1-2H3
InChIKeyRAONXOQZYJTPRQ-UHFFFAOYSA-N
MW452.28 g/mol
LogP4.32
Rot. Bonds11

About dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane

dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane (PubChem CID 173221103) has the molecular formula C11H13F13O2Si and a molecular weight of 452.28 g/mol. Its IUPAC name is dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane.

Molecular Properties

Compound Namedimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane
PubChem CID173221103
Molecular FormulaC11H13F13O2Si
Molecular Weight452.28 g/mol
Exact Mass452.05
IUPAC Namedimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane
SMILESCO[SiH](CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)OC
InChIInChI=1S/C11H13F13O2Si/c1-25-27(26-2)3-4(12)8(17,18)10(21,22)11(23,24)9(19,20)6(14)5(13)7(15)16/h4-7,27H,3H2,1-2H3
InChIKeyRAONXOQZYJTPRQ-UHFFFAOYSA-N
XLogP4.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.28
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 22221751
CID 22221751
1,1,2,2,3,3,4,4,5,6,7,7-dodecafluoroheptane-1-thiol
CID 175037264
2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-pentadecafluoro-2-(2-trimethoxysilylethyl)decanethioic S-acid
CID 175379697
azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane
CID 174929284
1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane
CID 18504293
ethyl 2,2,3,3,4,4,5,6,7,7-decafluoroheptanoate
CID 87918751
dimethoxy(1,1,2,2,3,3,4,4,5,5,6,8,8,8-tetradecafluorooctyl)silane
CID 175373175
3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,12,12-heptadecafluoro-2-methyldodecanoic acid;propanoic acid
CID 175346800
1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane
CID 174239213
1,1,2,2,3,3,4,4,5,6,7,7-dodecafluoroheptan-1-ol;2-methylprop-2-enoic acid
CID 174617566
1,1,1,3,4,4,5,5,6,6,7,8,9,10,11,12,13,14,15,15-icosafluoropentadecan-2-yl(trimethoxy)silane
CID 175026560
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-1-(1,1,2,2,3,3,4,4,5,5,6-undecafluorooctoxy)octane
CID 139622993

Frequently Asked Questions

What is the IUPAC name of dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane?
The IUPAC name of dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane (CID 173221103) is dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane.
What is the SMILES notation for dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane?
The canonical SMILES for dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane is CO[SiH](CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)OC.
What is the InChIKey of dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane?
The InChIKey is RAONXOQZYJTPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F13O2Si/c1-25-27(26-2)3-4(12)8(17,18)10(21,22)11(23,24)9(19,20)6(14)5(13)7(15)16/h4-7,27H,3H2,1-2H3.
What are the key properties of dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane?
dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane has a molecular weight of 452.28 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane is sourced from PubChem (CID 173221103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).