2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane

C13H18F12O2Si — CID 171920603

IUPAC2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane
SMILESCCC[Si](C)(OC)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C13H18F12O2Si/c1-5-6-28(4,26-3)27-7-9(16,17)11(20,21)13(24,25)12(22,23)10(18,19)8(2,14)15/h5-7H2,1-4H3
InChIKeyRBBNRTHZKASLCP-UHFFFAOYSA-N
MW462.35 g/mol
LogP5.96
Rot. Bonds11

About 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane (PubChem CID 171920603) has the molecular formula C13H18F12O2Si and a molecular weight of 462.35 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane
PubChem CID171920603
Molecular FormulaC13H18F12O2Si
Molecular Weight462.35 g/mol
Exact Mass462.09
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane
SMILESCCC[Si](C)(OC)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C13H18F12O2Si/c1-5-6-28(4,26-3)27-7-9(16,17)11(20,21)13(24,25)12(22,23)10(18,19)8(2,14)15/h5-7H2,1-4H3
InChIKeyRBBNRTHZKASLCP-UHFFFAOYSA-N
XLogP5.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.35
LogP ≤ 55.96
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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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane (CID 171920603) is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane is CCC[Si](C)(OC)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane?
The InChIKey is RBBNRTHZKASLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F12O2Si/c1-5-6-28(4,26-3)27-7-9(16,17)11(20,21)13(24,25)12(22,23)10(18,19)8(2,14)15/h5-7H2,1-4H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane?
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane has a molecular weight of 462.35 g/mol, XLogP of 5.96, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctoxy-methoxy-methyl-propylsilane is sourced from PubChem (CID 171920603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).