chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane

C10H10ClF13O2Si — CID 23523514

IUPACchloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
SMILESCCO[Si](Cl)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10ClF13O2Si/c1-3-25-27(11,26-4-2)10(23,24)8(18,19)6(14,15)5(12,13)7(16,17)9(20,21)22/h3-4H2,1-2H3
InChIKeyIIFDCYONMGACCK-UHFFFAOYSA-N
MW472.70 g/mol
LogP5.52
Rot. Bonds9

About chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane

chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane (PubChem CID 23523514) has the molecular formula C10H10ClF13O2Si and a molecular weight of 472.70 g/mol. Its IUPAC name is chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane.

Molecular Properties

Compound Namechloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
PubChem CID23523514
Molecular FormulaC10H10ClF13O2Si
Molecular Weight472.70 g/mol
Exact Mass471.99
IUPAC Namechloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
SMILESCCO[Si](Cl)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10ClF13O2Si/c1-3-25-27(11,26-4-2)10(23,24)8(18,19)6(14,15)5(12,13)7(16,17)9(20,21)22/h3-4H2,1-2H3
InChIKeyIIFDCYONMGACCK-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.70
LogP ≤ 55.52
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?
The IUPAC name of chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane (CID 23523514) is chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane.
What is the SMILES notation for chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?
The canonical SMILES for chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane is CCO[Si](Cl)(OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?
The InChIKey is IIFDCYONMGACCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF13O2Si/c1-3-25-27(11,26-4-2)10(23,24)8(18,19)6(14,15)5(12,13)7(16,17)9(20,21)22/h3-4H2,1-2H3.
What are the key properties of chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?
chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane has a molecular weight of 472.70 g/mol, XLogP of 5.52, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane is sourced from PubChem (CID 23523514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).