tetrakis(1,1,2-trifluoropropan-2-yl) silicate

C12H16F12O4Si — CID 87192906

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

About tetrakis(1,1,2-trifluoropropan-2-yl) silicate

tetrakis(1,1,2-trifluoropropan-2-yl) silicate (PubChem CID 87192906) has the molecular formula C12H16F12O4Si and a molecular weight of 480.32 g/mol. Its IUPAC name is tetrakis(1,1,2-trifluoropropan-2-yl) silicate.

Molecular Properties

Compound Nametetrakis(1,1,2-trifluoropropan-2-yl) silicate
PubChem CID87192906
Molecular FormulaC12H16F12O4Si
Molecular Weight480.32 g/mol
Exact Mass480.06
IUPAC Nametetrakis(1,1,2-trifluoropropan-2-yl) silicate
SMILESCC(F)(O[Si](OC(C)(F)C(F)F)(OC(C)(F)C(F)F)OC(C)(F)C(F)F)C(F)F
InChIInChI=1S/C12H16F12O4Si/c1-9(21,5(13)14)25-29(26-10(2,22)6(15)16,27-11(3,23)7(17)18)28-12(4,24)8(19)20/h5-8H,1-4H3
InChIKeyBVZCBZUJMKVMOK-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-trifluoropropan-2-yl) silicate?
The IUPAC name of tetrakis(1,1,2-trifluoropropan-2-yl) silicate (CID 87192906) is tetrakis(1,1,2-trifluoropropan-2-yl) silicate.
What is the SMILES notation for tetrakis(1,1,2-trifluoropropan-2-yl) silicate?
The canonical SMILES for tetrakis(1,1,2-trifluoropropan-2-yl) silicate is CC(F)(O[Si](OC(C)(F)C(F)F)(OC(C)(F)C(F)F)OC(C)(F)C(F)F)C(F)F.
What is the InChIKey of tetrakis(1,1,2-trifluoropropan-2-yl) silicate?
The InChIKey is BVZCBZUJMKVMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F12O4Si/c1-9(21,5(13)14)25-29(26-10(2,22)6(15)16,27-11(3,23)7(17)18)28-12(4,24)8(19)20/h5-8H,1-4H3.
What are the key properties of tetrakis(1,1,2-trifluoropropan-2-yl) silicate?
tetrakis(1,1,2-trifluoropropan-2-yl) 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-trifluoropropan-2-yl) silicate is sourced from PubChem (CID 87192906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).