[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane

C12H12AlF15O3 — CID 158068577

IUPAC[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane
SMILESCC(C)(O[Al](OC(C)(C)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4F9O.2C4H6F3O.Al/c5-2(6,7)1(14,3(8,9)10)4(11,12)13;2*1-3(2,8)4(5,6)7;/h;2*1-2H3;/q3*-1;+3
InChIKeyOTYYQYRHJQYKQF-UHFFFAOYSA-N
MW516.18 g/mol
LogP6.13
Rot. Bonds6

About [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane

[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane (PubChem CID 158068577) has the molecular formula C12H12AlF15O3 and a molecular weight of 516.18 g/mol. Its IUPAC name is [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane.

Molecular Properties

Compound Name[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane
PubChem CID158068577
Molecular FormulaC12H12AlF15O3
Molecular Weight516.18 g/mol
Exact Mass516.04
IUPAC Name[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane
SMILESCC(C)(O[Al](OC(C)(C)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4F9O.2C4H6F3O.Al/c5-2(6,7)1(14,3(8,9)10)4(11,12)13;2*1-3(2,8)4(5,6)7;/h;2*1-2H3;/q3*-1;+3
InChIKeyOTYYQYRHJQYKQF-UHFFFAOYSA-N
XLogP6.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.18
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane with MolForge

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Related Compounds

1,1,1-trifluoro-2-methoxy-2-methylpropane
CID 21360384
1,1,1,3,3,3-hexafluoro-2-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)propane
CID 123221241
(1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite
CID 71334106
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-trimethylsilane
CID 14943879
[1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)-3-trimethylsilyloxybutan-2-yl]oxy-trimethylsilane
CID 121002323
methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane
CID 162111882
(1,1,1-trifluoro-2-methylpropan-2-yl) 2,2-dimethylpropanoate
CID 130411404
[1,1,1-trifluoro-3-hydroperoxy-3-methyl-2-(trifluoromethyl)butan-2-yl] hydrogen carbonate
CID 87982830
1,1,1,4,4,4-hexafluoro-3-methoxy-2,3-bis(trifluoromethyl)butan-2-ol
CID 12603900
bis[1,1,1-trifluoro-3,3-dimethyl-2-(trifluoromethyl)butan-2-yl] (E)-but-2-enedioate
CID 88614543
(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) acetate
CID 160602540
trifluoromethoxy (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate
CID 157217399

Frequently Asked Questions

What is the IUPAC name of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane?
The IUPAC name of [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) is [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane.
What is the SMILES notation for [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane?
The canonical SMILES for [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane is CC(C)(O[Al](OC(C)(C)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane?
The InChIKey is OTYYQYRHJQYKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F9O.2C4H6F3O.Al/c5-2(6,7)1(14,3(8,9)10)4(11,12)13;2*1-3(2,8)4(5,6)7;/h;2*1-2H3;/q3*-1;+3.
What are the key properties of [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane?
[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane has a molecular weight of 516.18 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-bis[(1,1,1-trifluoro-2-methylpropan-2-yl)oxy]alumane is sourced from PubChem (CID 158068577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).