1,3-difluoro-5-methylbenzene-6-ide;yttrium

C7H5F2Y- — CID 58665383

IUPAC1,3-difluoro-5-methylbenzene-6-ide;yttrium
SMILESCc1[c-]c(F)cc(F)c1.[Y]
InChIInChI=1S/C7H5F2.Y/c1-5-2-6(8)4-7(9)3-5;/h2,4H,1H3;/q-1;
InChIKeyKWRISJXPALPJEH-UHFFFAOYSA-N
MW216.02 g/mol
LogP2.07
Rot. Bonds

About 1,3-difluoro-5-methylbenzene-6-ide;yttrium

1,3-difluoro-5-methylbenzene-6-ide;yttrium (PubChem CID 58665383) has the molecular formula C7H5F2Y- and a molecular weight of 216.02 g/mol. Its IUPAC name is 1,3-difluoro-5-methylbenzene-6-ide;yttrium.

Molecular Properties

Compound Name1,3-difluoro-5-methylbenzene-6-ide;yttrium
PubChem CID58665383
Molecular FormulaC7H5F2Y-
Molecular Weight216.02 g/mol
Exact Mass215.94
IUPAC Name1,3-difluoro-5-methylbenzene-6-ide;yttrium
SMILESCc1[c-]c(F)cc(F)c1.[Y]
InChIInChI=1S/C7H5F2.Y/c1-5-2-6(8)4-7(9)3-5;/h2,4H,1H3;/q-1;
InChIKeyKWRISJXPALPJEH-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.02
LogP ≤ 52.07
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 1,3-difluoro-5-methylbenzene-6-ide;yttrium?
The IUPAC name of 1,3-difluoro-5-methylbenzene-6-ide;yttrium (CID 58665383) is 1,3-difluoro-5-methylbenzene-6-ide;yttrium.
What is the SMILES notation for 1,3-difluoro-5-methylbenzene-6-ide;yttrium?
The canonical SMILES for 1,3-difluoro-5-methylbenzene-6-ide;yttrium is Cc1[c-]c(F)cc(F)c1.[Y].
What is the InChIKey of 1,3-difluoro-5-methylbenzene-6-ide;yttrium?
The InChIKey is KWRISJXPALPJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2.Y/c1-5-2-6(8)4-7(9)3-5;/h2,4H,1H3;/q-1;.
What are the key properties of 1,3-difluoro-5-methylbenzene-6-ide;yttrium?
1,3-difluoro-5-methylbenzene-6-ide;yttrium has a molecular weight of 216.02 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-methylbenzene-6-ide;yttrium is sourced from PubChem (CID 58665383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).