[cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate

C8H11AlF6O7S2 — CID 139829051

IUPAC[cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate
SMILESO=S(=O)(O[Al](OC1CCCCC1)OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H11O.2CHF3O3S.Al/c7-6-4-2-1-3-5-6;2*2-1(3,4)8(5,6)7;/h6H,1-5H2;2*(H,5,6,7);/q-1;;;+3/p-2
InChIKeyDYTGPXBLEUIXLQ-UHFFFAOYSA-L
MW424.27 g/mol
LogP2.05
Rot. Bonds6

About [cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate

[cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate (PubChem CID 139829051) has the molecular formula C8H11AlF6O7S2 and a molecular weight of 424.27 g/mol. Its IUPAC name is [cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate
PubChem CID139829051
Molecular FormulaC8H11AlF6O7S2
Molecular Weight424.27 g/mol
Exact Mass423.97
IUPAC Name[cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate
SMILESO=S(=O)(O[Al](OC1CCCCC1)OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H11O.2CHF3O3S.Al/c7-6-4-2-1-3-5-6;2*2-1(3,4)8(5,6)7;/h6H,1-5H2;2*(H,5,6,7);/q-1;;;+3/p-2
InChIKeyDYTGPXBLEUIXLQ-UHFFFAOYSA-L
XLogP2.05
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,2-Bis(trifluoromethylsulfonyloxy)hexane
CID 11079474
1,2-Bistrifluoromethylsulfonyloxycyclohexane
CID 13214238
(2-Fluorocyclohexyl) trifluoromethanesulfonate
CID 14568555
Cyclohexyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 17809734
(3-Fluorocyclohexyl) trifluoromethanesulfonate
CID 87154424
(4-Fluorocyclohexyl) trifluoromethanesulfonate
CID 87155534
[3-(Trifluoromethylsulfonyloxy)cyclohexyl] trifluoromethanesulfonate
CID 87649949
[4-(Trifluoromethylsulfonyloxy)cyclohexyl] trifluoromethanesulfonate
CID 87650488
[(1R)-2,2-difluorocyclohexyl] trifluoromethanesulfonate
CID 87766433
Cyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate
CID 87803673
(2,2-Difluorocyclohexyl) trifluoromethanesulfonate
CID 134300032
Cyclohexyloxysulfonyl(trifluoromethylsulfonyl)azanide
CID 140750679

Frequently Asked Questions

What is the IUPAC name of [cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate?
The IUPAC name of [cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate (CID 139829051) is [cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate.
What is the SMILES notation for [cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate?
The canonical SMILES for [cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate is O=S(=O)(O[Al](OC1CCCCC1)OS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate?
The InChIKey is DYTGPXBLEUIXLQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H11O.2CHF3O3S.Al/c7-6-4-2-1-3-5-6;2*2-1(3,4)8(5,6)7;/h6H,1-5H2;2*(H,5,6,7);/q-1;;;+3/p-2.
What are the key properties of [cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate?
[cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate has a molecular weight of 424.27 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyloxy(trifluoromethylsulfonyloxy)alumanyl] trifluoromethanesulfonate is sourced from PubChem (CID 139829051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).