1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium)

C8H6F2OY11-2 — CID 20579982

IUPAC1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium)
SMILESCc1c[c-]c(OC(F)F)[c-]c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H6F2O.11Y/c1-6-2-4-7(5-3-6)11-8(9)10;;;;;;;;;;;/h2-3,8H,1H3;;;;;;;;;;;/q-2;;;;;;;;;;;
InChIKeyCCLJMLRNIALLNK-UHFFFAOYSA-N
MW1134.10 g/mol
LogP2.17
Rot. Bonds2

About 1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium)

1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium) (PubChem CID 20579982) has the molecular formula C8H6F2OY11-2 and a molecular weight of 1134.10 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium).

Molecular Properties

Compound Name1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium)
PubChem CID20579982
Molecular FormulaC8H6F2OY11-2
Molecular Weight1134.10 g/mol
Exact Mass1134.00
IUPAC Name1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium)
SMILESCc1c[c-]c(OC(F)F)[c-]c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H6F2O.11Y/c1-6-2-4-7(5-3-6)11-8(9)10;;;;;;;;;;;/h2-3,8H,1H3;;;;;;;;;;;/q-2;;;;;;;;;;;
InChIKeyCCLJMLRNIALLNK-UHFFFAOYSA-N
XLogP2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001134.10
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium)?
The IUPAC name of 1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium) (CID 20579982) is 1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium).
What is the SMILES notation for 1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium)?
The canonical SMILES for 1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium) is Cc1c[c-]c(OC(F)F)[c-]c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium)?
The InChIKey is CCLJMLRNIALLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2O.11Y/c1-6-2-4-7(5-3-6)11-8(9)10;;;;;;;;;;;/h2-3,8H,1H3;;;;;;;;;;;/q-2;;;;;;;;;;;.
What are the key properties of 1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium)?
1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium) has a molecular weight of 1134.10 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-methylbenzene-2,6-diide;undecakis(yttrium) is sourced from PubChem (CID 20579982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).