CID 22221751

C15H16F17O2Si — CID 22221751

IUPAC—
SMILESCCO[Si](CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)OCC
InChIInChI=1S/C15H16F17O2Si/c1-3-33-35(34-4-2)5-6(16)10(21,22)12(25,26)14(29,30)15(31,32)13(27,28)11(23,24)8(18)7(17)9(19)20/h6-9H,3-5H2,1-2H3
InChIKeyHMSMQFXDWHZJDY-UHFFFAOYSA-N
MW579.34 g/mol
LogP6.64
Rot. Bonds15

About CID 22221751

CID 22221751 (PubChem CID 22221751) has the molecular formula C15H16F17O2Si and a molecular weight of 579.34 g/mol.

Molecular Properties

Compound NameCID 22221751
PubChem CID22221751
Molecular FormulaC15H16F17O2Si
Molecular Weight579.34 g/mol
Exact Mass579.06
IUPAC Name—
SMILESCCO[Si](CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)OCC
InChIInChI=1S/C15H16F17O2Si/c1-3-33-35(34-4-2)5-6(16)10(21,22)12(25,26)14(29,30)15(31,32)13(27,28)11(23,24)8(18)7(17)9(19)20/h6-9H,3-5H2,1-2H3
InChIKeyHMSMQFXDWHZJDY-UHFFFAOYSA-N
XLogP6.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.34
LogP ≤ 56.64
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

azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane
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dimethoxy(2,3,3,4,4,5,5,6,6,7,8,9,9-tridecafluorononyl)silane
CID 173221103
ethyl 2,2,3,3,4,4,5,6,7,7-decafluoroheptanoate
CID 87918751
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
1,1,2,2,3,3,4,4,5,6,7,7-dodecafluoroheptane-1-thiol
CID 175037264
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
4,4,5,5,6,6,7,7,8,8,9,10,11,12,12-pentadecafluoro-1-triethoxysilyldodecane-3-thiol
CID 87421934
1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecane-1-sulfonate;tetraethylazanium
CID 134207025
1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,11-heptadecafluoroundecyl(trimethoxy)silane
CID 18504293
triethoxy-[2-(1,2,2,3,3,4,4,5,5,6,7,8,9,10,10-pentadecafluorodecylsulfanyl)ethyl]silane
CID 175239862
2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-pentadecafluoro-2-(2-trimethoxysilylethyl)decanethioic S-acid
CID 175379697
potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,12,12-henicosafluorododecane-1-sulfonate
CID 134206795

Frequently Asked Questions

What is the IUPAC name of CID 22221751?
The IUPAC name of CID 22221751 (CID 22221751) is not available.
What is the SMILES notation for CID 22221751?
The canonical SMILES for CID 22221751 is CCO[Si](CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)OCC.
What is the InChIKey of CID 22221751?
The InChIKey is HMSMQFXDWHZJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F17O2Si/c1-3-33-35(34-4-2)5-6(16)10(21,22)12(25,26)14(29,30)15(31,32)13(27,28)11(23,24)8(18)7(17)9(19)20/h6-9H,3-5H2,1-2H3.
What are the key properties of CID 22221751?
CID 22221751 has a molecular weight of 579.34 g/mol, XLogP of 6.64, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22221751 is sourced from PubChem (CID 22221751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).