tetrakis(1,1,2,3,3-pentafluoropropyl) silicate

C12H8F20O4Si — CID 22112539

IUPACtetrakis(1,1,2,3,3-pentafluoropropyl) silicate
SMILESFC(F)C(F)C(F)(F)O[Si](OC(F)(F)C(F)C(F)F)(OC(F)(F)C(F)C(F)F)OC(F)(F)C(F)C(F)F
InChIInChI=1S/C12H8F20O4Si/c13-1(5(17)18)9(25,26)33-37(34-10(27,28)2(14)6(19)20,35-11(29,30)3(15)7(21)22)36-12(31,32)4(16)8(23)24/h1-8H
InChIKeyXNKOTOBJEORUAT-UHFFFAOYSA-N
MW624.24 g/mol
LogP6.27
Rot. Bonds16

About tetrakis(1,1,2,3,3-pentafluoropropyl) silicate

tetrakis(1,1,2,3,3-pentafluoropropyl) silicate (PubChem CID 22112539) has the molecular formula C12H8F20O4Si and a molecular weight of 624.24 g/mol. Its IUPAC name is tetrakis(1,1,2,3,3-pentafluoropropyl) silicate.

Molecular Properties

Compound Nametetrakis(1,1,2,3,3-pentafluoropropyl) silicate
PubChem CID22112539
Molecular FormulaC12H8F20O4Si
Molecular Weight624.24 g/mol
Exact Mass623.99
IUPAC Nametetrakis(1,1,2,3,3-pentafluoropropyl) silicate
SMILESFC(F)C(F)C(F)(F)O[Si](OC(F)(F)C(F)C(F)F)(OC(F)(F)C(F)C(F)F)OC(F)(F)C(F)C(F)F
InChIInChI=1S/C12H8F20O4Si/c13-1(5(17)18)9(25,26)33-37(34-10(27,28)2(14)6(19)20,35-11(29,30)3(15)7(21)22)36-12(31,32)4(16)8(23)24/h1-8H
InChIKeyXNKOTOBJEORUAT-UHFFFAOYSA-N
XLogP6.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.24
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(1,1,2,3,3-pentafluoropropyl) silicate?
The IUPAC name of tetrakis(1,1,2,3,3-pentafluoropropyl) silicate (CID 22112539) is tetrakis(1,1,2,3,3-pentafluoropropyl) silicate.
What is the SMILES notation for tetrakis(1,1,2,3,3-pentafluoropropyl) silicate?
The canonical SMILES for tetrakis(1,1,2,3,3-pentafluoropropyl) silicate is FC(F)C(F)C(F)(F)O[Si](OC(F)(F)C(F)C(F)F)(OC(F)(F)C(F)C(F)F)OC(F)(F)C(F)C(F)F.
What is the InChIKey of tetrakis(1,1,2,3,3-pentafluoropropyl) silicate?
The InChIKey is XNKOTOBJEORUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F20O4Si/c13-1(5(17)18)9(25,26)33-37(34-10(27,28)2(14)6(19)20,35-11(29,30)3(15)7(21)22)36-12(31,32)4(16)8(23)24/h1-8H.
What are the key properties of tetrakis(1,1,2,3,3-pentafluoropropyl) silicate?
tetrakis(1,1,2,3,3-pentafluoropropyl) silicate has a molecular weight of 624.24 g/mol, XLogP of 6.27, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,1,2,3,3-pentafluoropropyl) silicate is sourced from PubChem (CID 22112539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).