methoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane

C14H15F17OSi — CID 59112314

IUPACmethoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane
SMILESCO[Si](CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H15F17OSi/c1-32-33(6-3-9(17,18)19,7-4-10(20,21)22)5-2-8(15,16)11(23,24)12(25,26)13(27,28)14(29,30)31/h2-7H2,1H3
InChIKeyXVIJLCJZEOPVOI-UHFFFAOYSA-N
MW550.33 g/mol
LogP7.98
Rot. Bonds11

About methoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane

methoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane (PubChem CID 59112314) has the molecular formula C14H15F17OSi and a molecular weight of 550.33 g/mol. Its IUPAC name is methoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane.

Molecular Properties

Compound Namemethoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane
PubChem CID59112314
Molecular FormulaC14H15F17OSi
Molecular Weight550.33 g/mol
Exact Mass550.06
IUPAC Namemethoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane
SMILESCO[Si](CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H15F17OSi/c1-32-33(6-3-9(17,18)19,7-4-10(20,21)22)5-2-8(15,16)11(23,24)12(25,26)13(27,28)14(29,30)31/h2-7H2,1H3
InChIKeyXVIJLCJZEOPVOI-UHFFFAOYSA-N
XLogP7.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.33
LogP ≤ 57.98
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 methoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane?
The IUPAC name of methoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane (CID 59112314) is methoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane.
What is the SMILES notation for methoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane?
The canonical SMILES for methoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane is CO[Si](CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of methoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane?
The InChIKey is XVIJLCJZEOPVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F17OSi/c1-32-33(6-3-9(17,18)19,7-4-10(20,21)22)5-2-8(15,16)11(23,24)12(25,26)13(27,28)14(29,30)31/h2-7H2,1H3.
What are the key properties of methoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane?
methoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane has a molecular weight of 550.33 g/mol, XLogP of 7.98, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-bis(3,3,3-trifluoropropyl)-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane is sourced from PubChem (CID 59112314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).