1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium

C9H7F4OY- — CID 59067432

IUPAC1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium
SMILESCc1[c-]cc(F)c(OC(F)(F)F)c1C.[Y]
InChIInChI=1S/C9H7F4O.Y/c1-5-3-4-7(10)8(6(5)2)14-9(11,12)13;/h4H,1-2H3;/q-1;
InChIKeyOTJLPYLULHITDI-UHFFFAOYSA-N
MW296.05 g/mol
LogP3.14
Rot. Bonds1

About 1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium

1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium (PubChem CID 59067432) has the molecular formula C9H7F4OY- and a molecular weight of 296.05 g/mol. Its IUPAC name is 1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium.

Molecular Properties

Compound Name1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium
PubChem CID59067432
Molecular FormulaC9H7F4OY-
Molecular Weight296.05 g/mol
Exact Mass295.95
IUPAC Name1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium
SMILESCc1[c-]cc(F)c(OC(F)(F)F)c1C.[Y]
InChIInChI=1S/C9H7F4O.Y/c1-5-3-4-7(10)8(6(5)2)14-9(11,12)13;/h4H,1-2H3;/q-1;
InChIKeyOTJLPYLULHITDI-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.05
LogP ≤ 53.14
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
1-Methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium)
CID 20579981
2-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21615684
Lithium 1-methoxy-4-(trifluoromethyl)benzene-5-ide
CID 57533427
2-Fluoro-1,4,5-trimethyl-3-(trifluoromethoxy)benzene-6-ide;yttrium
CID 59067430
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
Carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+)
CID 59592343
2-Methoxy-5-trifluoromethylphenyllithium
CID 86735139

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium?
The IUPAC name of 1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium (CID 59067432) is 1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium.
What is the SMILES notation for 1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium?
The canonical SMILES for 1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium is Cc1[c-]cc(F)c(OC(F)(F)F)c1C.[Y].
What is the InChIKey of 1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium?
The InChIKey is OTJLPYLULHITDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4O.Y/c1-5-3-4-7(10)8(6(5)2)14-9(11,12)13;/h4H,1-2H3;/q-1;.
What are the key properties of 1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium?
1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium has a molecular weight of 296.05 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium is sourced from PubChem (CID 59067432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).