1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium)

C8H5F3OY11-2 — CID 20579981

IUPAC1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium)
SMILESCc1c[c-]c(OC(F)(F)F)[c-]c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H5F3O.11Y/c1-6-2-4-7(5-3-6)12-8(9,10)11;;;;;;;;;;;/h2-3H,1H3;;;;;;;;;;;/q-2;;;;;;;;;;;
InChIKeyDNABCOCVMKHSBA-UHFFFAOYSA-N
MW1152.09 g/mol
LogP2.47
Rot. Bonds1

About 1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium)

1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium) (PubChem CID 20579981) has the molecular formula C8H5F3OY11-2 and a molecular weight of 1152.09 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium).

Molecular Properties

Compound Name1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium)
PubChem CID20579981
Molecular FormulaC8H5F3OY11-2
Molecular Weight1152.09 g/mol
Exact Mass1151.99
IUPAC Name1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium)
SMILESCc1c[c-]c(OC(F)(F)F)[c-]c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H5F3O.11Y/c1-6-2-4-7(5-3-6)12-8(9,10)11;;;;;;;;;;;/h2-3H,1H3;;;;;;;;;;;/q-2;;;;;;;;;;;
InChIKeyDNABCOCVMKHSBA-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001152.09
LogP ≤ 52.47
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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Related Compounds

2-methyl-2,4,6-tris(trifluoromethyl)-2H-pyran
CID 3013867
Lithium 1-methoxy-3,5-bis(trifluoromethyl)benzene-6-ide
CID 135082765
1-Methyl-3-(trifluoromethoxy)cyclohexa-1,3-diene
CID 17952051
2-(1,2,2-Trifluoroethenoxy)cyclohexa-1,3-diene
CID 18990478
2-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21615684
Lithium 1-methoxy-4-(trifluoromethyl)benzene-5-ide
CID 57533427
Magnesium;1-methoxy-4-(trifluoromethyl)benzene-5-ide;bromide
CID 57533581
2-Fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium
CID 59067430
1-Fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium
CID 59067432
Carbanide;1,3-dimethyl-5-(trifluoromethoxy)benzene-6-ide;tungsten(2+)
CID 59592186
Carbanide;2-fluoro-1,5-dimethyl-3-(trifluoromethoxy)benzene-4-ide;tungsten(2+)
CID 59592243
Carbanide;2,4-dimethyl-1-(trifluoromethoxy)benzene-5-ide;tungsten(2+)
CID 59592335

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium)?
The IUPAC name of 1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium) (CID 20579981) is 1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium).
What is the SMILES notation for 1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium)?
The canonical SMILES for 1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium) is Cc1c[c-]c(OC(F)(F)F)[c-]c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium)?
The InChIKey is DNABCOCVMKHSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O.11Y/c1-6-2-4-7(5-3-6)12-8(9,10)11;;;;;;;;;;;/h2-3H,1H3;;;;;;;;;;;/q-2;;;;;;;;;;;.
What are the key properties of 1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium)?
1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium) has a molecular weight of 1152.09 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium) is sourced from PubChem (CID 20579981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).