4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane

C9H11F13O3Si3 — CID 159991867

IUPAC4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESFC(F)(F)C(F)(F)C(F)(F)CCCC[SiH]1O[SiH2]O[Si](C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C9H11F13O3Si3/c10-5(11,6(12,13)7(14,15)16)3-1-2-4-27-23-26-24-28(25-27,8(17,18)19)9(20,21)22/h27H,1-4,26H2
InChIKeyOHAXGHQTNRHQLX-UHFFFAOYSA-N
MW498.42 g/mol
LogP3.92
Rot. Bonds6

About 4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane

4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane (PubChem CID 159991867) has the molecular formula C9H11F13O3Si3 and a molecular weight of 498.42 g/mol. Its IUPAC name is 4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane.

Molecular Properties

Compound Name4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane
PubChem CID159991867
Molecular FormulaC9H11F13O3Si3
Molecular Weight498.42 g/mol
Exact Mass497.98
IUPAC Name4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane
SMILESFC(F)(F)C(F)(F)C(F)(F)CCCC[SiH]1O[SiH2]O[Si](C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C9H11F13O3Si3/c10-5(11,6(12,13)7(14,15)16)3-1-2-4-27-23-26-24-28(25-27,8(17,18)19)9(20,21)22/h27H,1-4,26H2
InChIKeyOHAXGHQTNRHQLX-UHFFFAOYSA-N
XLogP3.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane?
The IUPAC name of 4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane (CID 159991867) is 4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane.
What is the SMILES notation for 4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane?
The canonical SMILES for 4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane is FC(F)(F)C(F)(F)C(F)(F)CCCC[SiH]1O[SiH2]O[Si](C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane?
The InChIKey is OHAXGHQTNRHQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F13O3Si3/c10-5(11,6(12,13)7(14,15)16)3-1-2-4-27-23-26-24-28(25-27,8(17,18)19)9(20,21)22/h27H,1-4,26H2.
What are the key properties of 4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane?
4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane has a molecular weight of 498.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5,6,6,7,7,7-heptafluoroheptyl)-2,2-bis(trifluoromethyl)-1,3,5,2,4,6-trioxatrisilinane is sourced from PubChem (CID 159991867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).