tetrakis(2,2,3,3-tetrafluoropropyl) silicate

C12H12F16O4Si — CID 13310506

IUPACtetrakis(2,2,3,3-tetrafluoropropyl) silicate
SMILESFC(F)C(F)(F)CO[Si](OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C12H12F16O4Si/c13-5(14)9(21,22)1-29-33(30-2-10(23,24)6(15)16,31-3-11(25,26)7(17)18)32-4-12(27,28)8(19)20/h5-8H,1-4H2
InChIKeyNFYYSKIKFZXKNV-UHFFFAOYSA-N
MW552.28 g/mol
LogP5.09
Rot. Bonds16

About tetrakis(2,2,3,3-tetrafluoropropyl) silicate

tetrakis(2,2,3,3-tetrafluoropropyl) silicate (PubChem CID 13310506) has the molecular formula C12H12F16O4Si and a molecular weight of 552.28 g/mol. Its IUPAC name is tetrakis(2,2,3,3-tetrafluoropropyl) silicate.

Molecular Properties

Compound Nametetrakis(2,2,3,3-tetrafluoropropyl) silicate
PubChem CID13310506
Molecular FormulaC12H12F16O4Si
Molecular Weight552.28 g/mol
Exact Mass552.02
IUPAC Nametetrakis(2,2,3,3-tetrafluoropropyl) silicate
SMILESFC(F)C(F)(F)CO[Si](OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C12H12F16O4Si/c13-5(14)9(21,22)1-29-33(30-2-10(23,24)6(15)16,31-3-11(25,26)7(17)18)32-4-12(27,28)8(19)20/h5-8H,1-4H2
InChIKeyNFYYSKIKFZXKNV-UHFFFAOYSA-N
XLogP5.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.28
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 tetrakis(2,2,3,3-tetrafluoropropyl) silicate?
The IUPAC name of tetrakis(2,2,3,3-tetrafluoropropyl) silicate (CID 13310506) is tetrakis(2,2,3,3-tetrafluoropropyl) silicate.
What is the SMILES notation for tetrakis(2,2,3,3-tetrafluoropropyl) silicate?
The canonical SMILES for tetrakis(2,2,3,3-tetrafluoropropyl) silicate is FC(F)C(F)(F)CO[Si](OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of tetrakis(2,2,3,3-tetrafluoropropyl) silicate?
The InChIKey is NFYYSKIKFZXKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F16O4Si/c13-5(14)9(21,22)1-29-33(30-2-10(23,24)6(15)16,31-3-11(25,26)7(17)18)32-4-12(27,28)8(19)20/h5-8H,1-4H2.
What are the key properties of tetrakis(2,2,3,3-tetrafluoropropyl) silicate?
tetrakis(2,2,3,3-tetrafluoropropyl) silicate has a molecular weight of 552.28 g/mol, XLogP of 5.09, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2,2,3,3-tetrafluoropropyl) silicate is sourced from PubChem (CID 13310506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).