tetrakis(3,3,3-trifluoropropyl) silicate

C12H16F12O4Si — CID 87192676

IUPACtetrakis(3,3,3-trifluoropropyl) silicate
SMILESFC(F)(F)CCO[Si](OCCC(F)(F)F)(OCCC(F)(F)F)OCCC(F)(F)F
InChIInChI=1S/C12H16F12O4Si/c13-9(14,15)1-5-25-29(26-6-2-10(16,17)18,27-7-3-11(19,20)21)28-8-4-12(22,23)24/h1-8H2
InChIKeyVJOQGJMVHRTUTI-UHFFFAOYSA-N
MW480.32 g/mol
LogP5.30
Rot. Bonds12

About tetrakis(3,3,3-trifluoropropyl) silicate

tetrakis(3,3,3-trifluoropropyl) silicate (PubChem CID 87192676) has the molecular formula C12H16F12O4Si and a molecular weight of 480.32 g/mol. Its IUPAC name is tetrakis(3,3,3-trifluoropropyl) silicate.

Molecular Properties

Compound Nametetrakis(3,3,3-trifluoropropyl) silicate
PubChem CID87192676
Molecular FormulaC12H16F12O4Si
Molecular Weight480.32 g/mol
Exact Mass480.06
IUPAC Nametetrakis(3,3,3-trifluoropropyl) silicate
SMILESFC(F)(F)CCO[Si](OCCC(F)(F)F)(OCCC(F)(F)F)OCCC(F)(F)F
InChIInChI=1S/C12H16F12O4Si/c13-9(14,15)1-5-25-29(26-6-2-10(16,17)18,27-7-3-11(19,20)21)28-8-4-12(22,23)24/h1-8H2
InChIKeyVJOQGJMVHRTUTI-UHFFFAOYSA-N
XLogP5.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.32
LogP ≤ 55.30
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(3,3,3-trifluoropropyl) silicate?
The IUPAC name of tetrakis(3,3,3-trifluoropropyl) silicate (CID 87192676) is tetrakis(3,3,3-trifluoropropyl) silicate.
What is the SMILES notation for tetrakis(3,3,3-trifluoropropyl) silicate?
The canonical SMILES for tetrakis(3,3,3-trifluoropropyl) silicate is FC(F)(F)CCO[Si](OCCC(F)(F)F)(OCCC(F)(F)F)OCCC(F)(F)F.
What is the InChIKey of tetrakis(3,3,3-trifluoropropyl) silicate?
The InChIKey is VJOQGJMVHRTUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F12O4Si/c13-9(14,15)1-5-25-29(26-6-2-10(16,17)18,27-7-3-11(19,20)21)28-8-4-12(22,23)24/h1-8H2.
What are the key properties of tetrakis(3,3,3-trifluoropropyl) silicate?
tetrakis(3,3,3-trifluoropropyl) silicate has a molecular weight of 480.32 g/mol, XLogP of 5.30, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3,3,3-trifluoropropyl) silicate is sourced from PubChem (CID 87192676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).