[1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane

C12H18F12O2Si2 — CID 121002323

IUPAC[1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC(C(F)(F)F)(C(F)(F)F)C(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F12O2Si2/c1-27(2,3)25-7(9(13,14)15,10(16,17)18)8(11(19,20)21,12(22,23)24)26-28(4,5)6/h1-6H3
InChIKeyFZUHICKKVJTAFE-UHFFFAOYSA-N
MW478.42 g/mol
LogP6.42
Rot. Bonds5

About [1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane

[1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane (PubChem CID 121002323) has the molecular formula C12H18F12O2Si2 and a molecular weight of 478.42 g/mol. Its IUPAC name is [1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane
PubChem CID121002323
Molecular FormulaC12H18F12O2Si2
Molecular Weight478.42 g/mol
Exact Mass478.07
IUPAC Name[1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC(C(F)(F)F)(C(F)(F)F)C(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F12O2Si2/c1-27(2,3)25-7(9(13,14)15,10(16,17)18)8(11(19,20)21,12(22,23)24)26-28(4,5)6/h1-6H3
InChIKeyFZUHICKKVJTAFE-UHFFFAOYSA-N
XLogP6.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.42
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-trimethylsilane
CID 14943879
trimethyl(1,1,2,2-tetrafluoroethoxy)silane
CID 174401212
(2-ethoxy-1,1,1,6,6,6-hexafluoro-5-methyl-5-trimethylsilyloxyhexan-2-yl)oxy-trimethylsilane
CID 10812464
tris[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy]-(1,1,2,2,2-pentafluoroethyl)silane
CID 139851940
1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane
CID 123221241
O-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]hydroxylamine
CID 138604570
trichloro(2-trimethylsilyloxypropan-2-yl)silane
CID 20603294
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane
CID 158068577
[(1E,4E)-1,5-diphenyl-3-(trifluoromethyl)penta-1,4-dien-3-yl]oxy-trimethylsilane
CID 10714568
[1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite
CID 23235134
trimethylsilyl hypofluorite
CID 59651423
2,2,2-tris(trimethylsilyloxy)ethanol
CID 87695361

Frequently Asked Questions

What is the IUPAC name of [1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane?
The IUPAC name of [1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane (CID 121002323) is [1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane is C[Si](C)(C)OC(C(F)(F)F)(C(F)(F)F)C(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane?
The InChIKey is FZUHICKKVJTAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F12O2Si2/c1-27(2,3)25-7(9(13,14)15,10(16,17)18)8(11(19,20)21,12(22,23)24)26-28(4,5)6/h1-6H3.
What are the key properties of [1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane?
[1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane has a molecular weight of 478.42 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 121002323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).