[1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane

C21H26F12O2Si2 — CID 101241741

IUPAC[1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane
SMILESC=CCc1cc(C(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)cc(C(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C21H26F12O2Si2/c1-8-9-13-10-14(16(18(22,23)24,19(25,26)27)34-36(2,3)4)12-15(11-13)17(20(28,29)30,21(31,32)33)35-37(5,6)7/h8,10-12H,1,9H2,2-7H3
InChIKeyNMOMEDMXJVGWQE-UHFFFAOYSA-N
MW594.59 g/mol
LogP8.76
Rot. Bonds8

About [1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane

[1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane (PubChem CID 101241741) has the molecular formula C21H26F12O2Si2 and a molecular weight of 594.59 g/mol. Its IUPAC name is [1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane
PubChem CID101241741
Molecular FormulaC21H26F12O2Si2
Molecular Weight594.59 g/mol
Exact Mass594.13
IUPAC Name[1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane
SMILESC=CCc1cc(C(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)cc(C(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C21H26F12O2Si2/c1-8-9-13-10-14(16(18(22,23)24,19(25,26)27)34-36(2,3)4)12-15(11-13)17(20(28,29)30,21(31,32)33)35-37(5,6)7/h8,10-12H,1,9H2,2-7H3
InChIKeyNMOMEDMXJVGWQE-UHFFFAOYSA-N
XLogP8.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.59
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane?
The IUPAC name of [1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane (CID 101241741) is [1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane is C=CCc1cc(C(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)cc(C(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of [1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane?
The InChIKey is NMOMEDMXJVGWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F12O2Si2/c1-8-9-13-10-14(16(18(22,23)24,19(25,26)27)34-36(2,3)4)12-15(11-13)17(20(28,29)30,21(31,32)33)35-37(5,6)7/h8,10-12H,1,9H2,2-7H3.
What are the key properties of [1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane?
[1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane has a molecular weight of 594.59 g/mol, XLogP of 8.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,3,3,3-hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-trimethylsilyloxypropan-2-yl)-5-prop-2-enylphenyl]propan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 101241741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).