tetrakis[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate

C16H8F28O4Si — CID 22112540

IUPACtetrakis[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate
SMILESFC(F)(F)C(F)(CO[Si](OCC(F)(C(F)(F)F)C(F)(F)F)(OCC(F)(C(F)(F)F)C(F)(F)F)OCC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H8F28O4Si/c17-5(9(21,22)23,10(24,25)26)1-45-49(46-2-6(18,11(27,28)29)12(30,31)32,47-3-7(19,13(33,34)35)14(36,37)38)48-4-8(20,15(39,40)41)16(42,43)44/h1-4H2
InChIKeyFSJHDVIXWZEMFW-UHFFFAOYSA-N
MW824.27 g/mol
LogP8.82
Rot. Bonds12

About tetrakis[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate

tetrakis[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate (PubChem CID 22112540) has the molecular formula C16H8F28O4Si and a molecular weight of 824.27 g/mol. Its IUPAC name is tetrakis[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate.

Molecular Properties

Compound Nametetrakis[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate
PubChem CID22112540
Molecular FormulaC16H8F28O4Si
Molecular Weight824.27 g/mol
Exact Mass823.97
IUPAC Nametetrakis[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate
SMILESFC(F)(F)C(F)(CO[Si](OCC(F)(C(F)(F)F)C(F)(F)F)(OCC(F)(C(F)(F)F)C(F)(F)F)OCC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H8F28O4Si/c17-5(9(21,22)23,10(24,25)26)1-45-49(46-2-6(18,11(27,28)29)12(30,31)32,47-3-7(19,13(33,34)35)14(36,37)38)48-4-8(20,15(39,40)41)16(42,43)44/h1-4H2
InChIKeyFSJHDVIXWZEMFW-UHFFFAOYSA-N
XLogP8.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.27
LogP ≤ 58.82
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[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate?
The IUPAC name of tetrakis[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate (CID 22112540) is tetrakis[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate.
What is the SMILES notation for tetrakis[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate?
The canonical SMILES for tetrakis[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate is FC(F)(F)C(F)(CO[Si](OCC(F)(C(F)(F)F)C(F)(F)F)(OCC(F)(C(F)(F)F)C(F)(F)F)OCC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of tetrakis[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate?
The InChIKey is FSJHDVIXWZEMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F28O4Si/c17-5(9(21,22)23,10(24,25)26)1-45-49(46-2-6(18,11(27,28)29)12(30,31)32,47-3-7(19,13(33,34)35)14(36,37)38)48-4-8(20,15(39,40)41)16(42,43)44/h1-4H2.
What are the key properties of tetrakis[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate?
tetrakis[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate has a molecular weight of 824.27 g/mol, XLogP of 8.82, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl] silicate is sourced from PubChem (CID 22112540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).