di(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate

C8H14AlF3O4 — CID 22743488

IUPACdi(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate
SMILESCC(C)O[Al+]OC(C)C.O=C([O-])C(F)(F)F
InChIInChI=1S/2C3H7O.C2HF3O2.Al/c2*1-3(2)4;3-2(4,5)1(6)7;/h2*3H,1-2H3;(H,6,7);/q2*-1;;+3/p-1
InChIKeySDZRMTOYMKCDIO-UHFFFAOYSA-M
MW258.17 g/mol
LogP0.67
Rot. Bonds4

About di(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate

di(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate (PubChem CID 22743488) has the molecular formula C8H14AlF3O4 and a molecular weight of 258.17 g/mol. Its IUPAC name is di(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namedi(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate
PubChem CID22743488
Molecular FormulaC8H14AlF3O4
Molecular Weight258.17 g/mol
Exact Mass258.07
IUPAC Namedi(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate
SMILESCC(C)O[Al+]OC(C)C.O=C([O-])C(F)(F)F
InChIInChI=1S/2C3H7O.C2HF3O2.Al/c2*1-3(2)4;3-2(4,5)1(6)7;/h2*3H,1-2H3;(H,6,7);/q2*-1;;+3/p-1
InChIKeySDZRMTOYMKCDIO-UHFFFAOYSA-M
XLogP0.67
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate?
The IUPAC name of di(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate (CID 22743488) is di(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate.
What is the SMILES notation for di(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate?
The canonical SMILES for di(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate is CC(C)O[Al+]OC(C)C.O=C([O-])C(F)(F)F.
What is the InChIKey of di(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate?
The InChIKey is SDZRMTOYMKCDIO-UHFFFAOYSA-M. The full InChI is InChI=1S/2C3H7O.C2HF3O2.Al/c2*1-3(2)4;3-2(4,5)1(6)7;/h2*3H,1-2H3;(H,6,7);/q2*-1;;+3/p-1.
What are the key properties of di(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate?
di(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate has a molecular weight of 258.17 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)alumanylium;2,2,2-trifluoroacetate is sourced from PubChem (CID 22743488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).