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

C8H5F3Y11-2 — CID 20579976

IUPAC1-methyl-4-(trifluoromethyl)benzene-3,5-diide;undecakis(yttrium)
SMILESCc1c[c-]c(C(F)(F)F)[c-]c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H5F3.11Y/c1-6-2-4-7(5-3-6)8(9,10)11;;;;;;;;;;;/h2-3H,1H3;;;;;;;;;;;/q-2;;;;;;;;;;;
InChIKeyHFFOYZSMSYIXHM-UHFFFAOYSA-N
MW1136.09 g/mol
LogP2.59
Rot. Bonds

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

1-methyl-4-(trifluoromethyl)benzene-3,5-diide;undecakis(yttrium) (PubChem CID 20579976) has the molecular formula C8H5F3Y11-2 and a molecular weight of 1136.09 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)benzene-3,5-diide;undecakis(yttrium).

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)benzene-3,5-diide;undecakis(yttrium)
PubChem CID20579976
Molecular FormulaC8H5F3Y11-2
Molecular Weight1136.09 g/mol
Exact Mass1136.00
IUPAC Name1-methyl-4-(trifluoromethyl)benzene-3,5-diide;undecakis(yttrium)
SMILESCc1c[c-]c(C(F)(F)F)[c-]c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C8H5F3.11Y/c1-6-2-4-7(5-3-6)8(9,10)11;;;;;;;;;;;/h2-3H,1H3;;;;;;;;;;;/q-2;;;;;;;;;;;
InChIKeyHFFOYZSMSYIXHM-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001136.09
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-methyl-4-(trifluoromethyl)benzene-3,5-diide;undecakis(yttrium)?
The IUPAC name of 1-methyl-4-(trifluoromethyl)benzene-3,5-diide;undecakis(yttrium) (CID 20579976) is 1-methyl-4-(trifluoromethyl)benzene-3,5-diide;undecakis(yttrium).
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)benzene-3,5-diide;undecakis(yttrium)?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)benzene-3,5-diide;undecakis(yttrium) is Cc1c[c-]c(C(F)(F)F)[c-]c1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 1-methyl-4-(trifluoromethyl)benzene-3,5-diide;undecakis(yttrium)?
The InChIKey is HFFOYZSMSYIXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3.11Y/c1-6-2-4-7(5-3-6)8(9,10)11;;;;;;;;;;;/h2-3H,1H3;;;;;;;;;;;/q-2;;;;;;;;;;;.
What are the key properties of 1-methyl-4-(trifluoromethyl)benzene-3,5-diide;undecakis(yttrium)?
1-methyl-4-(trifluoromethyl)benzene-3,5-diide;undecakis(yttrium) has a molecular weight of 1136.09 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)benzene-3,5-diide;undecakis(yttrium) is sourced from PubChem (CID 20579976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).