tetrakis(1,1,2-trifluoropropyl) silicate

C12H16F12O4Si — CID 87192675

IUPACtetrakis(1,1,2-trifluoropropyl) silicate
SMILESCC(F)C(F)(F)O[Si](OC(F)(F)C(C)F)(OC(F)(F)C(C)F)OC(F)(F)C(C)F
InChIInChI=1S/C12H16F12O4Si/c1-5(13)9(17,18)25-29(26-10(19,20)6(2)14,27-11(21,22)7(3)15)28-12(23,24)8(4)16/h5-8H,1-4H3
InChIKeyOVONAOLYKBKJSK-UHFFFAOYSA-N
MW480.32 g/mol
LogP5.29
Rot. Bonds12

About tetrakis(1,1,2-trifluoropropyl) silicate

tetrakis(1,1,2-trifluoropropyl) silicate (PubChem CID 87192675) has the molecular formula C12H16F12O4Si and a molecular weight of 480.32 g/mol. Its IUPAC name is tetrakis(1,1,2-trifluoropropyl) silicate.

Molecular Properties

Compound Nametetrakis(1,1,2-trifluoropropyl) silicate
PubChem CID87192675
Molecular FormulaC12H16F12O4Si
Molecular Weight480.32 g/mol
Exact Mass480.06
IUPAC Nametetrakis(1,1,2-trifluoropropyl) silicate
SMILESCC(F)C(F)(F)O[Si](OC(F)(F)C(C)F)(OC(F)(F)C(C)F)OC(F)(F)C(C)F
InChIInChI=1S/C12H16F12O4Si/c1-5(13)9(17,18)25-29(26-10(19,20)6(2)14,27-11(21,22)7(3)15)28-12(23,24)8(4)16/h5-8H,1-4H3
InChIKeyOVONAOLYKBKJSK-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
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-trifluoropropyl) silicate?
The IUPAC name of tetrakis(1,1,2-trifluoropropyl) silicate (CID 87192675) is tetrakis(1,1,2-trifluoropropyl) silicate.
What is the SMILES notation for tetrakis(1,1,2-trifluoropropyl) silicate?
The canonical SMILES for tetrakis(1,1,2-trifluoropropyl) silicate is CC(F)C(F)(F)O[Si](OC(F)(F)C(C)F)(OC(F)(F)C(C)F)OC(F)(F)C(C)F.
What is the InChIKey of tetrakis(1,1,2-trifluoropropyl) silicate?
The InChIKey is OVONAOLYKBKJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F12O4Si/c1-5(13)9(17,18)25-29(26-10(19,20)6(2)14,27-11(21,22)7(3)15)28-12(23,24)8(4)16/h5-8H,1-4H3.
What are the key properties of tetrakis(1,1,2-trifluoropropyl) silicate?
tetrakis(1,1,2-trifluoropropyl) silicate has a molecular weight of 480.32 g/mol, XLogP of 5.29, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,1,2-trifluoropropyl) silicate is sourced from PubChem (CID 87192675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).